SCHEMBL3065138

SCHEMBL3065138

[CH2]CN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
CYP2C19 P33261 1/20 0.55
CYP2D6 P10635 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PDE6A P16499 1/20 0.47
ADRA2C P18825 1/20 0.47
MC4R P32245 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
MC3R P41968 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL3331658 0.86 CYP2C19 (0.52) TSHRCYP2C19LMNASLC6A3KCNH2
SCHEMBL43183 0.85 TSHR (0.74) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL355040 0.83 TSHR (0.71) TSHRCYP2C19CYP2D6TAAR1LMNA
Hydrochloric Acid SCHEMBL2139953 0.83 TSHR (0.71) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL9145309 0.83 TSHR (0.44) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL2006316 0.83 TSHR (0.59) TSHRCYP2C19CYP2D6TAAR1LMNA
Nitrogen SCHEMBL4599425 0.81 TSHR (0.68) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL2960872 0.80 CYP2C19 (0.78) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL2058979 0.80 CYP2C19 (0.64) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL7354477 0.77 TSHR (0.63) TSHRCYP2C19CYP2D6TAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1764462-B T-type calcium channel blockers NISSAN CHEMICAL IND LTD 2012-09-26 CN claimed
US-20070010490-A1 T-type calcium channel blockers NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-01-11 US claimed
CN-1764462-A T-type calcium channel blockers NISSAN CHEMICAL IND LTD (JP) 2006-04-26 CN claimed
EP-1609504-A1 T-TYPE CALCIUM CHANNEL BLOCKERS Nissan Chemical Industries, Ltd. (JP) 2005-12-28 EP claimed
CN-1436077-A stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2003-08-13 CN claimed
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2003-04-17 US claimed
EP-1285655-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS Sankyo Company, Limited (JP) 2003-02-26 EP claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
US-4339448-A Imidazole-copper complex compounds and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 US claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed
CN-1764462-B T-type calcium channel blockers NISSAN CHEMICAL IND LTD 2012-09-26 CN disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2010-06-10 US disclosed
US-20100144696-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2010-06-10 US disclosed
WO-1987004439-A1 DIHYDROPYRIDINE-5-PHOSPHONIC ACID CYCLIC PROPYLENE ESTER NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1987-07-30 WO disclosed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US disclosed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP disclosed
US-4339448-A Imidazole-copper complex compounds and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 US disclosed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 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-20100144696-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B TSHR 3887/4885CYP2C19 709/4885CYP2D6 514/4885
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B TSHR 3887/4885CYP2C19 709/4885CYP2D6 514/4885
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1S, CACNA1C, CACNA1D TSHR 4416/4885CYP2C19 869/4885CYP2D6 639/4885
US-20070010490-A1 T-type calcium channel blockers CACNA1E, RYR2, RYR1 TSHR 230/4885CYP2C19 1835/4885CYP2D6 385/4885

“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.