SCHEMBL3583056

SCHEMBL3583056

O=C(O)C1(Cl)C=CC(c2ccccc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.35
GRM2 Q14416 1/20 0.35
GRM4 Q14833 1/20 0.35
OPRK1 P41145 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
EDNRA P25101 1/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC9A1 P19634 1/20 0.33
HDAC4 P56524 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL316145 0.80 EDNRA (0.35) OPRK1ALDH1A1EDNRAMAPK1CYP2C19
SCHEMBL5250509 0.79 ALDH1A1 (0.37) KMT2AALDH1A1RECQLMAPK1SLC9A1
SCHEMBL1119643 0.78 THRB (0.35) OPRK1EDNRAMAPK1CYP2C19HDAC4
SCHEMBL5390121 0.78 CHRNA7 (0.33) RECQLCA2
SCHEMBL7985531 0.77 HTR2C (0.32) MEN1KMT2ARECQLLMNACYP2C19
SCHEMBL4608630 0.77 AKR1C3 (0.34) ALDH1A1EDNRAMAPTCYP2C19SLC9A1
SCHEMBL4371618 0.77 SLC9A1 (0.36) OPRK1ALDH1A1EDNRAMAPK1CYP2C19
SCHEMBL2508140 0.77 HTR2A (0.35) OPRK1MEN1KMT2AALDH1A1RECQL
SCHEMBL2121106 0.77 KDM1A (0.34) ALDH1A1EDNRAMAPK1CYP2C19SLC9A1
SCHEMBL6601729 0.77 HTR2A (0.35) OPRK1MEN1KMT2AALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol GLAXO GROUP LIMITED (GB) 2006-06-08 US disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
EP-1534280-A1 ARYL PIPERIDINE DERIVATIVES AND USE THEREOF TO REDUCE ELEVATED LEVELS OF LDL-CHOLESTEROL GLAXO GROUP LIMITED (GB) 2005-06-01 EP disclosed
WO-2004006924-A1 ARYL PIPERIDINE DERIVATIVES AND USE THEREOF TO REDUCE ELEVATED LEVELS OF LDL-CHOLESTEROL GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed
WO-1998006688-A1 CATALYSED COUPLING OF ARYL MAGNESIUM HALOGENIDES AND BROMARYL CARBOXYLIC ACID COMPOUNDS FOR PREPARING BIPHENYL CARBOXYLIC ACIDS GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 1998-02-19 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 (3 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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT GRM1 64/4885GRM2 29/4885GRM4 47/4885
US-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol LDLR, NR1H2, NR1H3 GRM1 2045/4885GRM2 1887/4885GRM4 1771/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS GRM1 512/4885GRM2 484/4885GRM4 1033/4885

“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.