SCHEMBL408931

SCHEMBL408931

OC(CCl)CCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
F2RL1 P55085 1/20 0.42
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
MAOB P27338 1/20 0.38
CYP19A1 P11511 2/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL27547657 0.82 TAAR1 (0.45) TAAR1F2RL1PTGS1PTGS2KCNH2
SCHEMBL409924 0.82 TAAR1 (0.45) TAAR1MMP2MMP9MMP12MMP13
SCHEMBL14005420 0.80 TAAR1 (0.54) TAAR1F2RL1PTGER1PTGFRPTGS1
SCHEMBL1138928 0.80 TAAR1 (0.43) TAAR1F2RL1PTGER1PTGFRPTGS1
SCHEMBL10247192 0.80 CYP1A2 (0.43) TAAR1PTGFRMMP2MMP9MMP12
SCHEMBL6692566 0.80 TAAR1 (0.43) TAAR1F2RL1PTGER1PTGFRPTGS1
SCHEMBL3769347 0.79 MMP12 (0.49) MMP2MMP9MMP12MMP13MMP14
SCHEMBL8371056 0.79 MMP12 (0.49) MMP2MMP9MMP12MMP13MMP14
SCHEMBL14327418 0.79 TAAR1 (0.50) TAAR1F2RL1PTGS1PTGS2MAOB
SCHEMBL12517335 0.78 MMP12 (0.53) MMP2MMP9MMP12MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
EP-2173740-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM Osta Biotechnologies (CA) 2010-04-14 EP disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed
US-20080292547-A1 Novel Imaging Agents for Fibrosis TOLLESHAUG HELGE 2008-11-27 US disclosed
US-20080292547-A1 Novel Imaging Agents for Fibrosis TOLLESHAUG HELGE 2008-11-27 US disclosed
WO-2007066119-A2 NOVEL IMAGING AGENTS FOR FIBROSIS GE HEALTHCARE LIMITED (GB) 2007-06-14 WO disclosed
EP-0005980-B1 DERIVATIVES OF SUBSTITUTED N-ALKYL IMIDAZOLES, THEIR PREPARATION AND THESE COMPOUNDS FOR PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed
US-4272545-A FUNGICIDES, BACTERICIDE, ANTIPROTOZOA, SPERMATOCIDE SYNTEX (U.S.A.) INC. (US) 1981-06-09 US disclosed
US-4213991-A BACTERICIDES, FUNGICIDES, ANTIPROTOZOA SYNTEX (U.S.A.) INC. (US) 1980-07-22 US disclosed
EP-0005980-A2 Derivatives of substituted N-alkyl imidazoles, their preparation and these compounds for pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1979-12-12 EP disclosed
US-3987087-A ANTI-ULCER, NASAL PATENCY, WOUND HEALING, LABOR INDUCEMENT THE UPJOHN COMPANY (US) 1976-10-19 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 (5 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 TAAR1 1059/4885F2RL1 3639/4885PTGER1 664/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TAAR1 2422/4885F2RL1 4001/4885PTGER1 527/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TAAR1 2422/4885F2RL1 4001/4885PTGER1 527/4885
US-20080292547-A1 Novel Imaging Agents for Fibrosis LOXL1, LOXL2, LOXL3 TAAR1 618/4885F2RL1 105/4885PTGER1 149/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TAAR1 2611/4885F2RL1 4014/4885PTGER1 585/4885

“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.