SCHEMBL223967

SCHEMBL223967

Cc1cccc(C)c1CCc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
HTR1D P28221 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 1/20 0.33
ACP1 P24666 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOS2 P35228 3/20 0.33
PARP1 P09874 2/20 0.31
NOS3 P29474 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8989374 0.91 MAPT (0.38) TAAR1HTR1DCYP3A4CYP1A2CYP2C9
SCHEMBL8989302 0.91 TAAR1 (0.37) TAAR1HTR1DCYP3A4CYP1A2CYP2C9
SCHEMBL10742019 0.90 MAPT (0.37) TAAR1HTR1DCYP3A4CYP1A2CYP2C9
SCHEMBL9641608 0.85 TAAR1 (0.33) TAAR1MEN1LMNAMAPTKMT2A
SCHEMBL2103783 0.84 TAAR1 (0.46) TAAR1HTR1DCYP3A4CYP1A2CYP2C9
SCHEMBL9641579 0.83 TAAR1 (0.32) TAAR1ACP1
SCHEMBL10745477 0.82 HRH3 (0.40) HTR1DMEN1MAPTKMT2APARP1
SCHEMBL31248590 0.81 SLC6A2 (0.34) TAAR1MEN1LMNAMAPTKMT2A
SCHEMBL10743458 0.81 SLC6A2 (0.34) TAAR1MEN1LMNAMAPTKMT2A
SCHEMBL10741610 0.81 TAAR1 (0.44) TAAR1MEN1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US claimed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US claimed
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP claimed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO claimed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 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
US-4568686-A Substituted imidazoles and their use FARMOS YHTYMA OY (FI) 1986-02-04 US claimed
EP-0034473-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-09-21 EP claimed
EP-0034473-A2 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 EP claimed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
US-4568686-A Substituted imidazoles and their use FARMOS YHTYMA OY (FI) 1986-02-04 US disclosed
EP-0034473-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-09-21 EP disclosed
EP-0034473-A2 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 EP disclosed
EP-0034474-A1 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 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 (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-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TAAR1 1/4885HTR1D 354/4885CYP3A4 780/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TAAR1 1/4885HTR1D 354/4885CYP3A4 780/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TAAR1 1/4885HTR1D 354/4885CYP3A4 780/4885

“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.