SCHEMBL278451

SCHEMBL278451

CC(C)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.71
KCNH2 Q12809 2/20 0.71
GRIN2B Q13224 6/20 0.59
ADRA2A P08913 5/20 0.59
HTR2A P28223 5/20 0.59
ADRA1A P35348 5/20 0.59
GRIN1 Q05586 4/20 0.59
HTR2B P41595 4/20 0.59
SIGMAR1 Q99720 3/20 0.59
GRIN2D O15399 2/20 0.59
HTR1A P08908 2/20 0.59
GRIN2A Q12879 2/20 0.59
GRIN2C Q14957 2/20 0.59
LMNA P02545 1/20 0.59
ADRB1 P08588 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2603279 0.90 HRH3 (0.59) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL4748684 0.86 GRIN2B (0.57) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL9735226 0.86 CCR3 (0.60) HRH3KCNH2GRIN2BADRA2AHTR2A
Hydrochloric Acid SCHEMBL30390347 0.85 GRIN2B (0.56) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL9150658 0.85 CYP2D6 (0.59) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL14463383 0.85 OPRM1 (0.60) KCNH2GRIN2BADRA2AHTR2AADRA1A
Hydrochloric Acid SCHEMBL4577195 0.84 KCNH2 (0.65) HRH3KCNH2GRIN2BGRIN1
SCHEMBL14507935 0.84 HRH3 (0.54) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL24486057 0.83 GRIN2B (0.54) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL11134420 0.83 GRIN2B (0.69) HRH3KCNH2GRIN2BADRA2AHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
EP-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2023-07-06 US disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20220118118-A1 BENZAZEPIN-L,7-DIOL-DERIVED RADIOLABELED LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY ETH ZURICH (CH) 2022-04-21 US disclosed
WO-2021241876-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS 재단법인 대구경북첨단의료산업진흥재단 2021-12-02 WO disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2007-11-22 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
WO-2007084319-A2 DIARYL PIPERIDINES AS CB1 MODULATORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
US-7247648-B2 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY (US) 2007-07-24 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2004-05-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS SLC6A2, SLC6A3, SLC6A4 HRH3 1515/4885KCNH2 1959/4885GRIN2B 429/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 HRH3 1815/4885KCNH2 1329/4885GRIN2B 181/4885
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, CYP51A1, CD4 HRH3 185/4885KCNH2 1834/4885GRIN2B 1384/4885
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 HRH3 335/4885KCNH2 531/4885GRIN2B 793/4885
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, IFNG, CD4 HRH3 166/4885KCNH2 2118/4885GRIN2B 1075/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 HRH3 1000/4885KCNH2 3742/4885GRIN2B 1206/4885
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH HRH3 956/4885KCNH2 4707/4885GRIN2B 1322/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 HRH3 1180/4885KCNH2 4156/4885GRIN2B 57/4885
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB HRH3 554/4885KCNH2 2248/4885GRIN2B 242/4885
US-20220118118-A1 BENZAZEPIN-L,7-DIOL-DERIVED RADIOLABELED LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY GRIN1, GRIN2D, GRIN3B HRH3 171/4885KCNH2 368/4885GRIN2B 4/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE HRH3 13/4885KCNH2 3229/4885GRIN2B 4752/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.