SCHEMBL4082510

SCHEMBL4082510

OC(c1ccc(Cl)cc1)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
HIF1A Q16665 3/20 0.58
CNR1 P21554 3/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.58
NR1I2 O75469 1/20 0.58
ABCB11 O95342 1/20 0.58
LMNA P02545 1/20 0.58
NR3C1 P04150 1/20 0.58
PGR P06401 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
MAPT P10636 1/20 0.58
ACAT1 P24752 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL30986710 1.00 TSHR (0.58) TSHRHIF1ACNR1SLC6A2SLC6A4
SCHEMBL477602 0.87 ACP3 (0.53) TSHRHIF1ACNR1SLC6A2SLC6A4
SCHEMBL477580 0.87 ACP3 (0.53) TSHRHIF1ACNR1SLC6A2SLC6A4
SCHEMBL29609159 0.87 ACP3 (0.53) TSHRHIF1ACNR1SLC6A2SLC6A4
SCHEMBL11641801 0.84 ESR2 (0.46) TSHRHIF1ACNR1SLC6A2SLC6A4
SCHEMBL5753910 0.84 IGF1R (0.43) TSHRHIF1ACNR1SLC6A2SLC6A4
SCHEMBL6001430 0.84 ATM (0.47) TSHRHIF1ACNR1SLC6A2SLC6A4
SCHEMBL29976363 0.82 ADRB2 (0.48) TSHRHIF1ACNR1SLC6A2SLC6A4
SCHEMBL230382 0.82 ADRB2 (0.48) TSHRHIF1ACNR1SLC6A2SLC6A4
SCHEMBL6564634 0.80 CNR2 (0.45) TSHRHIF1ACNR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702041-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2014-03-05 EP disclosed
US-8604015-B2 Alkaloid ester and carbamate derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-12-10 US disclosed
WO-2012146515-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 WO disclosed
US-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 US disclosed
EP-1620395-B1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RES LTD (GB) 2009-12-30 EP disclosed
US-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders VERNALIS RESEARCH LIMITED. (GB) 2009-07-16 US disclosed
US-7504522-B2 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMITED (GB) 2009-03-17 US disclosed
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs VERNALIS RESEARCH LIMITED (GB) 2007-07-26 US disclosed
US-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMAITED (GB) 2007-03-08 US disclosed
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP disclosed
EP-0781749-B1 Process for producing optically active benzhydrol compounds TAKASAGO PERFUMERY CO LTD (JP) 2002-09-04 EP disclosed
US-H2007-H1 INSECTICIDES FMC CORPORATION 2001-12-04 US disclosed
US-5780692-A CATALYTIC ASYMMETRIC HYDROGENATION OF A BENZOPHENONE; SIMPLIFICATION TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-07-14 US disclosed
WO-1997026252-A1 INSECTICIDAL N-HETEROCYCLYLALKYL- OR N-[(POLYCYCLYL)-ALKYL]-N'-SUBSTITUTED PIPERAZINES FMC CORPORATION (US) 1997-07-24 WO disclosed
EP-0781749-A2 Process for producing optically active benzhydrol compounds Takasago International Corporation (JP) 1997-07-02 EP disclosed
US-4225723-A Process for the preparation of substituted arylcyanoalkyl and diaryl cyanoalkylimidazoles ROHM AND HAAS COMPANY (US) 1980-09-30 US disclosed
US-4143137-A SUBSTITUTED ARYLCYANOALKYL AND DIARYLCYANOALKYLIMIDAZOLE METAL SALT COMPLEXES AND FUNGICIDAL COMPOSITIONS AND METHODS UTILIZING THEM ROHM AND HAAS COMPANY (US) 1979-03-06 US disclosed
US-4073921-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-02-14 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-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, BCHE, CHRM1 TSHR 3024/4885HIF1A 569/4885CNR1 26/4885
US-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders CNR1, CNR2, GPR119 TSHR 368/4885HIF1A 1247/4885CNR1 1/4885
US-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders CNR1, CNR2, GPR119 TSHR 404/4885HIF1A 2339/4885CNR1 1/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 TSHR 121/4885HIF1A 1932/4885CNR1 1/4885

“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.