SCHEMBL3637320

SCHEMBL3637320

CC(C)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.74
CYP3A4 P08684 2/20 0.74
HTR1A P08908 2/20 0.74
ADORA3 P0DMS8 2/20 0.74
SLC6A2 P23975 2/20 0.74
SLC6A4 P31645 2/20 0.74
ADRA1A P35348 2/20 0.74
OPRM1 P35372 2/20 0.74
DRD3 P35462 2/20 0.74
SLC6A3 Q01959 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2D6 P10635 2/20 0.74
CYP2C19 P33261 2/20 0.74
CASR P41180 2/20 0.74
LMNA P02545 2/20 0.74
CHRM2 P08172 1/20 0.74
ADRA2A P08913 1/20 0.74
CHRM1 P11229 1/20 0.74
SMPD1 P17405 1/20 0.74
DRD1 P21728 1/20 0.74

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
SCHEMBL11583588 0.88 HTR2A (0.66) KCNH2CYP3A4HTR1AADORA3SLC6A2
Hydrochloric Acid SCHEMBL11679206 0.86 HTR2A (0.63) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL14415809 0.85 OPRM1 (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL14415808 0.85 OPRM1 (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL63814 0.85 OPRM1 (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL5053865 0.85 OPRM1 (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
SCHEMBL14064842 0.85 CYP3A4 (0.55) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL15571059 0.83 KMT2A (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
SCHEMBL6705994 0.83 KCNH2 (0.69) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL666530 0.83 KMT2A (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1088585-C Compound active at a novel site on receptor-operated calcium channels usefull for treatment of neurological disorders and diseases NPS PHARMACEUTICAL CO LTD (US) 2002-08-07 CN claimed
EP-0743853-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMA INC (US) 2001-05-02 EP claimed
CN-119661368-A Synthesis method of beta-aryl ethyl amine medicine 闽都创新实验室 2025-03-21 CN disclosed
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 EP disclosed
US-20090286693-A1 MICROARRAYS OF TAGGED COMBINATORIAL TRIAZINE LIBRARIES NEW YORK UNIVERSITY, NYU MEDICAL CENTER, DEPARTMENT OF INDUSTRIAL LIAISON (US) 2009-11-19 US disclosed
US-20090286693-A1 MICROARRAYS OF TAGGED COMBINATORIAL TRIAZINE LIBRARIES NEW YORK UNIVERSITY, NYU MEDICAL CENTER, DEPARTMENT OF INDUSTRIAL LIAISON (US) 2009-11-19 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
JP-2004002437-A COMPOUND ACTIVE AT NEW POSITION ON RECEPTOR-OPERATED CALCIUM CHANNEL USEFUL FOR TREATING NEUROPRAXIA AND NEUROPATHY NPS PHARMACEUT INC 2004-01-08 JP disclosed
EP-0743853-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMA INC (US) 2001-05-02 EP disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6017965-A TREATING STROKE, HEAD TRAUMA, SPINAL CORD INJURY, SPINAL CORD ISCHEMIA, ISCHEMIA- OR HYPOXIA-INDUCED NERVE CELL DAMAGE, EPILEPSY, ANXIETY, NEUROPSYCHIATRIC OR COGNITIVE DEFICITS DUE TO ISCHEMIA OR HYPOXIA NPS PHARMACEUTICALS, INC. (US) 2000-01-25 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 (2 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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D KCNH2 651/4885CYP3A4 4488/4885HTR1A 277/4885
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 KCNH2 1123/4885CYP3A4 4804/4885HTR1A 3316/4885

“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.