SCHEMBL961132

SCHEMBL961132

O=c1[nH]c2ccccc2n1CCCl

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
HTT P42858 2/20 0.64
HPGD P15428 2/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
KMT2A Q03164 1/20 0.64
POLB P06746 1/20 0.59
HTR7 P34969 6/20 0.55
RAB9A P51151 1/20 0.55
P2RX7 Q99572 1/20 0.51
HTR1A P08908 1/20 0.50
DAO P14920 1/20 0.50

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
SCHEMBL318787 0.90 LMNA (0.69) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL30277537 0.90 LMNA (0.69) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL2149024 0.88 LMNA (0.68) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL8134198 0.87 LMNA (0.66) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL26189978 0.85 MEN1 (0.68) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL30947438 0.85 LMNA (0.78) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL21669395 0.84 RAB9A (0.61) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL763166 0.82 LMNA (0.64) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL21729878 0.82 LMNA (0.64) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL891366 0.82 LMNA (0.64) LMNAHTTHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8081464-A None JP disclosed
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity Salix Pharmaceuticals, Ltd 2015-12-24 US disclosed
US-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity SPROUT PHARMACEUTICALS, INC. (US) 2015-01-08 US disclosed
US-8722682-B2 Sulfated benzimidazolone derivatives having mixed serotonin receptor affinity SPROUT PHARMACEUTICALS, INC. (US) 2014-05-13 US disclosed
EP-2097389-B1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INT (DE) 2011-09-14 EP disclosed
EP-1432420-B1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARM INC (US) 2011-07-13 EP disclosed
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
WO-2010146595-A2 NOVEL POLYMORPHS OF FLIBANSERIN HYDROCHLORIDE SYMED LABS LIMITED (IN) 2010-12-23 WO disclosed
WO-2010128516-A2 PROCESS FOR THE PREPARATION OF FLIBANSERIN INVOLVING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2010-11-11 WO disclosed
US-20100216840-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2010-08-26 US disclosed
EP-0058975-A1 Substituted N-(4-indolyl-piperidino-alkyl) benzimidazolones, processes for their preparation and their use as pharmaceutical preparations Boehringer Ingelheim Pharmaceuticals Inc. (US) 1982-09-01 EP disclosed
EP-0037713-A1 Novel 1,3-dihydro-1-((1-piperidinyl)alkyl)-2H-benzimidazol-2-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-14 EP disclosed
US-4254127-A ANTIEMETIC, NEUROLIPTIC AND ANTICONGESTIVE AGENT JANSSEN PHARMACEUTICA, N.V. (BE) 1981-03-03 US disclosed
US-4250176-A BENZIMIDAZOLE-2-ONE, BENZOTHIAZOL-2-ONE, OR BENZOXAZOL-2-ONE SUBSTITUTIONS, ANTIANAPHALACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-02-10 US disclosed
US-4200641-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-04-29 US disclosed
US-4044010-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-08-23 US disclosed
US-4035369-A 1-Benzazolylalkyl-4-substituted-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 US disclosed
US-4006145-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-02-01 US disclosed
US-4006144-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-02-01 US disclosed
US-3954764-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-04 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 (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-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E LMNA 4249/4885HTT 1316/4885HPGD 2234/4885
US-20100216840-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 LMNA 3610/4885HTT 2865/4885HPGD 2819/4885
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E LMNA 4258/4885HTT 1301/4885HPGD 2213/4885
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY HTR3A, HTR3B, NPSR1 LMNA 4318/4885HTT 1607/4885HPGD 1737/4885

“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.