SCHEMBL4480826

SCHEMBL4480826

COc1cccc(CCCCCBr)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.59
CHRM1 P11229 2/20 0.59
CHRM3 P20309 2/20 0.59
TAAR1 Q96RJ0 1/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
ACHE P22303 1/20 0.53
SIGMAR1 Q99720 2/20 0.53
AOC3 Q16853 1/20 0.53
IDO1 P14902 1/20 0.50
AGXT P21549 1/20 0.50

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
SCHEMBL27530402 0.98 CHRM2 (0.61) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL79359 0.93 CHRM2 (0.63) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL21002124 0.91 TAAR1 (0.69) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL21002162 0.89 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL12630196 0.86 SIGMAR1 (0.66) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL177862 0.85 TAAR1 (0.67) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL30169530 0.85 TAAR1 (0.67) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL29986862 0.85 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL21002016 0.85 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL9747684 0.84 PPARG (0.61) CHRM2CHRM1CHRM3TAAR1HDAC1

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
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 US disclosed
US-6071935-A Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use as farnesyl protein transferase inhibitors PFIZER INC. (US) 2000-06-06 US disclosed
EP-0907649-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1999-04-14 EP disclosed
WO-1997049700-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1997-12-31 WO disclosed
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
EP-0226636-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1989-02-08 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 CHRM2 4206/4885CHRM1 4150/4885CHRM3 4299/4885

“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.