SCHEMBL2603282

SCHEMBL2603282

CC(C)N1CCC(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.69
KCNH2 Q12809 2/20 0.69
KDM1A O60341 1/20 0.55
DRD2 P14416 1/20 0.53
SLC18A3 Q16572 3/20 0.50
ESRRG P62508 3/20 0.50
ESRRB O95718 2/20 0.50
ESR1 P03372 2/20 0.50
OPRM1 P35372 1/20 0.49
GRIN2B Q13224 2/20 0.49
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
CCR5 P51681 1/20 0.48
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2603312 0.93 KCNH2 (0.61) HRH3KCNH2KDM1ADRD2SLC18A3
SCHEMBL12609017 0.89 HRH3 (0.56) HRH3KCNH2KDM1ADRD2SLC18A3
SCHEMBL12609029 0.89 HRH3 (0.56) HRH3KCNH2KDM1ADRD2SLC18A3
SCHEMBL2603285 0.89 HRH3 (0.56) HRH3KCNH2KDM1ADRD2SLC18A3
SCHEMBL24291907 0.85 KCNH2 (0.53) HRH3KCNH2DRD2SLC18A3OPRM1
SCHEMBL20419215 0.85 KCNH2 (0.53) HRH3KCNH2KDM1ADRD2SLC18A3
SCHEMBL2661616 0.85 KCNH2 (0.56) HRH3KCNH2DRD2SLC18A3OPRM1
SCHEMBL23921798 0.83 CYP2D6 (0.59) HRH3KCNH2SLC18A3GRIN2BCYP2D6
SCHEMBL12026437 0.82 KCNH2 (0.50) HRH3KCNH2SLC18A3ESRRGESRRB
SCHEMBL13225753 0.82 KCNH2 (0.50) HRH3KCNH2DRD2SLC18A3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265071-A1 ARYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE IKZF2 Plexium, Inc. 2023-08-24 US disclosed
US-20230265071-A1 ARYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE IKZF2 Plexium, Inc. 2023-08-24 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-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-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
WO-2023283425-A1 ARYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE IKZF2 Plexium, Inc. (US) 2023-01-12 WO disclosed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20090163592-A1 Chiral diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2009-06-25 US disclosed
WO-2008147474-A2 SULFONYL SEMICARBAZIDES, CARBONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2008-12-04 WO disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 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-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-02-15 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 (9 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-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R HRH3 1008/4885KCNH2 2912/4885KDM1A 1066/4885
US-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA HRH3 2026/4885KCNH2 4840/4885KDM1A 4555/4885
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 1959/4885KDM1A 1266/4885
US-20090163592-A1 Chiral diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, CRYZ, TCF12 HRH3 383/4885KCNH2 4140/4885KDM1A 3702/4885
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 HRH3 335/4885KCNH2 531/4885KDM1A 4741/4885
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME NAAA, PAM, AANAT HRH3 979/4885KCNH2 2591/4885KDM1A 3000/4885
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A HRH3 2289/4885KCNH2 3768/4885KDM1A 136/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS HRH3 3631/4885KCNH2 874/4885KDM1A 2610/4885
US-20230265071-A1 ARYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE IKZF2 CRBN, IKZF1, IKZF3 HRH3 4705/4885KCNH2 2492/4885KDM1A 455/4885

“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.