SCHEMBL4629342

SCHEMBL4629342

CONCc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14308370 0.79 CHRM2 (0.47) CHRM2HPGDALDH1A1KDM4ELMNA
SCHEMBL11195571 0.77 NPC1 (0.50) CHRM2ALDH1A1LMNAKMT2AMAPT
SCHEMBL6076876 0.77 LMNA (0.50) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL31488449 0.77 NPC1 (0.50) CHRM2ALDH1A1LMNAKMT2AMAPT
SCHEMBL40401 0.77 CHRM2 (0.69) CHRM2HPGDALDH1A1KDM4ELMNA
SCHEMBL10692846 0.75 HRAS (0.49) CHRM2HPGDALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL6065696 0.75 CHRM2 (0.67) CHRM2HPGDALDH1A1KDM4ELMNA
SCHEMBL4582835 0.75 CHRM2 (0.55) CHRM2HPGDALDH1A1KDM4ELMNA
SCHEMBL606716 0.75 CHRM2 (0.55) CHRM2HPGDALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL23527967 0.73 CHRM2 (0.53) CHRM2HPGDALDH1A1KDM4ELMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917244-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022964-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
CN-1617849-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-05-18 CN disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF CHRM2 4837/4885HPGD 1650/4885ALDH1A1 563/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 CHRM2 4645/4885HPGD 3667/4885ALDH1A1 976/4885

“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.