SCHEMBL44492

SCHEMBL44492

O=c1[nH]c2ccccc2n1C1CCNCC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.63
CHRM2 P08172 2/20 0.63
CHRM4 P08173 2/20 0.63
CHRM3 P20309 1/20 0.63
OPRM1 P35372 8/20 0.60
OPRK1 P41145 2/20 0.60
OPRL1 P41146 2/20 0.60
SLC18A3 Q16572 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
PLD1 Q13393 1/20 0.55
DRD2 P14416 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL29467164 1.00 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL31285831 0.98 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
Ammonia Solution, Strong SCHEMBL1763968 0.98 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL7295362 0.98 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL3710702 0.92 CHRM1 (0.78) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL2636603 0.91 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL2636477 0.91 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL2636476 0.91 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL5482985 0.90 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL319049 0.90 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3OPRM1

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 1074 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US claimed
EP-2357172-B1 Process for the preparation of pimozide INST UNIV CIENCIA I TECNOLOGIA (ES) 2012-10-31 EP claimed
EP-2394997-A1 PROCESS FOR PREPARING 1-(4-PIPERIDINYL)BENZIMIDAZOLONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-12-14 EP claimed
US-20110295013-A1 PROCESS FOR PREPARING 1-(4-PIPERIDINYL)BENZIMIDAZOLONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-01 US claimed
EP-2357172-A1 Process for the preparation of pimozide Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2011-08-17 EP claimed
US-20100173941-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US claimed
EP-2132175-A2 PROCESS FOR THE PREPARATION OF LOPERAMIDE Institut Universitari de Ciència i Tecnologia (ES) 2009-12-16 EP claimed
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 EP claimed
EP-2035407-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA AstraZeneca AB (SE) 2009-03-18 EP claimed
WO-2008080601-A2 PROCESS FOR THE PREPARATION OF LOPERAMIDE INSTITUT UNIVERSITARI DE CIÈNCIA I TECNOLOGIA (ES) 2008-07-10 WO claimed
US-5571921-A AMINATION OF PIPERIDINE DERIVATIVES BY DEHYDROHALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US claimed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0673783-A2 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORPORATION (US) 1995-09-27 EP claimed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO claimed
EP-0628555-A1 Substituted (2-oxo-1-benzimidazolinyl)-piperidines, process for their preparation and their use as antiretroviral agents BAYER AG (DE) 1994-12-14 EP claimed
EP-0322396-A1 Benzimidazole derivatives, their preparation and use Gerot-Pharmazeutika Gesellschaft m.b.H. (AT) 1989-06-28 EP claimed
EP-0091511-A2 1-(3-(6-Fluoro-1,2-benzisoxazol-3-yl)propyl)-4-(substituted)-piperazines and -piperidines, a process for the preparation thereof, pharmaceutical compositions containing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-10-19 EP claimed
WO-1980000152-A1 3-AMINOPROPOXY-ARYL DERIVATES,PREPARATION AND USE THEREOF SANDOZ AG (CH) 1980-02-07 WO claimed

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-20100173941-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia CHRM1, CHRM2, CHRM5 CHRM1 1/4885CHRM2 2/4885CHRM4 4/4885
US-20110295013-A1 PROCESS FOR PREPARING 1-(4-PIPERIDINYL)BENZIMIDAZOLONE DERIVATIVES HDAC4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC2 CHRM1 2144/4885CHRM2 3381/4885CHRM4 2996/4885

“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.