SCHEMBL2103783

SCHEMBL2103783

Cc1cccc(C)c1Cc1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
HTR1D P28221 1/20 0.41
AR P10275 1/20 0.37
ACP1 P24666 1/20 0.36
PARP1 P09874 2/20 0.35
GPR84 Q9NQS5 1/20 0.33
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
SLC22A12 Q96S37 2/20 0.31
NOS1 P29475 1/20 0.31
USP2 O75604 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4629510 0.91 TAAR1 (0.40) TAAR1HTR1DARALDH1A1POLB
SCHEMBL2102247 0.87 TAAR1 (0.41) TAAR1HTR1DARGPR84NOS3
SCHEMBL4628180 0.85 TAAR1 (0.36) TAAR1HTR1DARUSP2ALDH1A1
SCHEMBL223967 0.84 TAAR1 (0.38) TAAR1HTR1DARACP1PARP1
SCHEMBL8989302 0.82 TAAR1 (0.37) TAAR1HTR1DACP1PARP1NOS3
SCHEMBL8989374 0.82 MAPT (0.38) TAAR1HTR1DACP1PARP1NOS3
SCHEMBL10406697 0.81 HTR1D (0.41) HTR1DPARP1MEN1MAPTKMT2A
SCHEMBL10742019 0.81 MAPT (0.37) TAAR1HTR1DACP1NOS2CYP3A4
Detomidine SCHEMBL7087060 0.81 ALDH1A1 (0.35) TAAR1GPR84ADRA1DADRA1AADRA1B
Detomidine SCHEMBL247340 0.81 ALDH1A1 (0.35) TAAR1GPR84ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 CN claimed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP claimed
CN-101374832-A Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 CN claimed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US claimed
EP-0719139-A1 USE OF CENTRALLY ACTIVE ALPHAAGONISTS FOR INHIBING POSTRAUMATIC METABOLIC STRESS Dr. Karl Thomae GmbH (DE) 1996-07-03 EP claimed
WO-1995003798-A2 USE OF CENTRALLY EFFECTIVE α-2 AGONISTS FOR INHIBITING POSTAGGRESSION METABOLISM BOEHRINGER INGELHEIM INT (DE) 1995-02-09 WO claimed
EP-0170193-B1 FEEDSTUFF ADDITIVE FOR THE GROWTH PROMOTING OF AGRICULTURAL USEFUL ANIMALS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 1991-12-27 EP claimed
EP-0437030-A2 4-Substituted imidazoles for lowering intraocular pressure ORION-YHTYMÀ„ OY (FI) 1991-07-17 EP claimed
EP-0170193-A2 Feedstuff additive for the growth promoting of agricultural useful animals BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 1986-02-05 EP claimed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP claimed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US claimed
EP-0024829-A1 4-Benzyl- and 4-benzoylimidazole derivatives, processes for their preparation and pharmaceutical compositions comprising the same Farmos-Yhtyma Oy (FI) 1981-03-11 EP claimed
JP-3170423-A None JP disclosed
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 CN disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US disclosed
EP-0058047-A1 Substituted imidazole derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1982-08-18 EP disclosed
EP-0024829-A1 4-Benzyl- and 4-benzoylimidazole derivatives, processes for their preparation and pharmaceutical compositions comprising the same Farmos-Yhtyma Oy (FI) 1981-03-11 EP 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 (1 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A TAAR1 79/4885HTR1D 13/4885AR 1732/4885

“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.