SCHEMBL3867980

SCHEMBL3867980

CC(C)Oc1ccccc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.68
HTR3A P46098 3/20 0.68
ADRB1 P08588 3/20 0.68
HTR3E A5X5Y0 1/20 0.68
HTR3B O95264 1/20 0.68
DRD2 P14416 1/20 0.68
CYP2C19 P33261 1/20 0.68
DRD3 P35462 1/20 0.68
HTR3D Q70Z44 1/20 0.68
HTR3C Q8WXA8 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
HTR1A P08908 5/20 0.59
SLC6A2 P23975 3/20 0.59
SLC6A4 P31645 3/20 0.59
SLC6A3 Q01959 3/20 0.59
HTR7 P34969 2/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56

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
SCHEMBL3951002 1.00 HTR6 (0.68) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL30159754 1.00 HTR6 (0.68) HTR6HTR3AADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL4519236 0.98 LMNA (0.69) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL14984402 0.94 HTR6 (0.60) HTR6HTR3AADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL246152 0.93 LMNA (0.61) HTR6HTR3AADRB1HTR3EHTR3B
Ethylamine SCHEMBL7690866 0.93 HTR6 (0.59) HTR6HTR3AADRB1HTR3EHTR3B
Fumaric Acid SCHEMBL3873157 0.88 HTR6 (0.54) HTR6HTR3AADRB1HTR3EHTR3B
Fumaric Acid SCHEMBL7648541 0.88 HTR6 (0.54) HTR6HTR3AADRB1HTR3EHTR3B
Fumaric Acid SCHEMBL3873156 0.88 HTR6 (0.54) HTR6HTR3AADRB1HTR3EHTR3B
Fumaric Acid SCHEMBL7650493 0.88 HTR6 (0.54) HTR6HTR3AADRB1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530391-B Amide aryl piperazine derivative and preparation method and application thereof 袁牧 2022-05-17 CN claimed
US-7560459-B2 Substituted sulfamate anticonvulsant derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-14 US claimed
US-7060725-B2 Substituted sulfamate anticonvulsant derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-13 US claimed
US-20060058373-A1 Novel substituted sulfamate anticonvulsant derivatives ABDEL-MAGID AHMED 2006-03-16 US claimed
CN-1665828-A Novel substituted sulfamate anticonvulsant derivatives ORTHO MCNEIL PHARM INC (US) 2005-09-07 CN claimed
EP-1506212-A2 NOVEL SUBSTITUTED SULFAMATE ANTICONVULSANT DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2005-02-16 EP claimed
US-20040038911-A1 Novel substituted sulfamate anticonvulsant derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-02-26 US claimed
WO-2003097656-A2 NOVEL SUBSTITUTED SULFAMATE ANTICONVULSANT DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-11-27 WO claimed
CN-108530391-B Amide aryl piperazine derivative and preparation method and application thereof 袁牧 2022-05-17 CN disclosed
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-8883796-B2 Biphenyl derivatives, pharmaceutical composition comprising the same, and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-11 US disclosed
US-20140228568-A1 BIPHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-08-14 US disclosed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
US-7560459-B2 Substituted sulfamate anticonvulsant derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-14 US disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
US-4547505-A ANTIULCER, ANTIPHLOGISTIC, AND ANTISECRETORY AGENT DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-10-15 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
US-4438115-A PIPERAZINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1984-03-20 US disclosed
EP-0042162-B1 COMPOSITIONS FOR TREATING DISEASES IN CIRCULATORY ORGANS Chugai Seiyaku Kabushiki Kaisha (JP) 1983-11-23 EP disclosed
EP-0042162-A2 Compositions for treating diseases in circulatory organs Chugai Seiyaku Kabushiki Kaisha (JP) 1981-12-23 EP 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 (4 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-20040038911-A1 Novel substituted sulfamate anticonvulsant derivatives SULT1E1, SULT2A1, GRIK5 HTR6 1250/4885HTR3A 1482/4885ADRB1 2832/4885
US-20140228568-A1 BIPHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND PREPARATION METHOD THEREOF HTR7, HTR6, HTR3B HTR6 2/4885HTR3A 7/4885ADRB1 84/4885
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A HTR6 236/4885HTR3A 54/4885ADRB1 2/4885
US-20060058373-A1 Novel substituted sulfamate anticonvulsant derivatives SULT1E1, CACNA1A, SULT2A1 HTR6 1446/4885HTR3A 1425/4885ADRB1 2881/4885

“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.