SCHEMBL4404160

SCHEMBL4404160

COc1ccccc1N1CCN(CCN)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.75
DRD3 P35462 2/20 0.71
HTR1A P08908 4/20 0.69
ADRA1D P25100 1/20 0.69
ADRA1A P35348 1/20 0.69
ADRA1B P35368 1/20 0.69
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTR7 P34969 1/20 0.61

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
Hydrochloric Acid SCHEMBL9132672 0.98 DRD2 (0.73) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL2215388 0.91 DRD2 (0.76) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL29395171 0.91 DRD2 (0.76) DRD2DRD3HTR1AADRA1DADRA1A
Propylamine SCHEMBL28972784 0.90 DRD2 (0.89) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL30080718 0.90 HTR1A (0.77) DRD2DRD3HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL11047866 0.90 DRD2 (0.74) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL946736 0.90 HTR1A (0.77) DRD2DRD3HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL29072812 0.90 DRD2 (0.74) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL30080722 0.90 HTR1A (0.77) DRD2DRD3HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL3196123 0.88 HTR1A (0.75) DRD2DRD3HTR1AADRA1DADRA1A

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
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-0539180-A1 Antiviral agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-04-28 EP claimed
JP-11092458-A None JP disclosed
JP-10114755-A None JP disclosed
JP-60169470-A None JP disclosed
CN-111253325-A Amino quinazoline aryl piperazine compound and pharmaceutical composition and application thereof 广州大学 2020-06-09 CN disclosed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-0906100-B1 USE OF 5-HT 1A? RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI CHEM PHARM (CH) 2004-01-28 EP disclosed
EP-1000047-B1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI CHEM PHARM (CH) 2003-12-17 EP disclosed
JP-S60169470-A NOVEL PHENYLPIPERAZINE DERIVATIVE CHUGAI PHARMACEUT CO LTD 1985-09-02 JP disclosed
WO-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed
EP-0123700-A1 Substituted picolinic acids, processes for their preparation, their use, and pharmaceutical preparations containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-07 EP disclosed
EP-0089065-A2 Novel phenylpiperazine derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1983-09-21 EP disclosed
EP-0000220-B1 DIHYDROURACILS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-04-29 EP disclosed
US-4216216-A TREATING MIGRAINE HEADACHES, ANTI-HISTAMINES HOECHST AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed
EP-0000220-A1 Dihydrouracils, process for their preparation and pharmaceuticals containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-10 EP disclosed
US-3966950-A ALPHA-ADRENOLYTIC ACTIVITY ROUSSEL-UCLAF (FR) 1976-06-29 US disclosed
US-3948898-A HYPOTENSIVES, SEDATIVES, ANTIARRHYTHMICS, BRADYCARDIACS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-06 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 (1 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 DRD2 3882/4885DRD3 3114/4885HTR1A 1491/4885

“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.