SCHEMBL3474520

SCHEMBL3474520

Fc1ccccc1C1(F)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
SIGMAR1 Q99720 2/20 0.39
HDAC4 P56524 2/20 0.39
HTR2C P28335 3/20 0.38
HTR2A P28223 3/20 0.38
SLC6A2 P23975 2/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
TSHR P16473 1/20 0.35
BACE1 P56817 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
USP2 O75604 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2B P41595 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
Hydrochloric Acid SCHEMBL1513481 0.98 OPRM1 (0.39) OPRM1SIGMAR1HDAC4HTR2CHTR2A
SCHEMBL14660963 0.89 HTR2A (0.43) OPRM1SIGMAR1HDAC4HTR2CHTR2A
Hydrochloric Acid SCHEMBL14660553 0.83 HDAC4 (0.41) OPRM1SIGMAR1HDAC4HTR2CHTR2A
SCHEMBL27671020 0.80 SIGMAR1 (0.42) OPRM1SIGMAR1HTR2CHTR2ASLC6A2
SCHEMBL31158700 0.79 HDAC4 (0.37) OPRM1HDAC4HTR2CHTR2ASLC6A2
SCHEMBL10820262 0.78 SIGMAR1 (0.41) OPRM1SIGMAR1HDAC4HTR2CHTR2A
SCHEMBL615903 0.78 SIGMAR1 (0.57) OPRM1SIGMAR1HDAC4HTR2CHTR2A
SCHEMBL2882928 0.78 ADRB1 (0.40) OPRM1SIGMAR1HDAC4HTR2CHTR2A
Hydrochloric Acid SCHEMBL14660717 0.78 HTR2C (0.42) OPRM1SIGMAR1HTR2CSLC6A2DRD2
Hydrochloric Acid SCHEMBL4894805 0.77 OPRM1 (0.54) OPRM1SIGMAR1HDAC4HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477983-B1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-04-15 EP disclosed
US-8642621-B2 (4-phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2014-02-04 US disclosed
US-8642621-B2 (4-phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2014-02-04 US disclosed
US-20120172393-A1 (4-Phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2012-07-05 US disclosed
US-20120172393-A1 (4-Phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2012-07-05 US disclosed
WO-2011033255-A1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-03-24 WO disclosed
EP-2265600-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS Pfizer Inc. (US) 2010-12-29 EP disclosed
WO-2009098576-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS PFIZER INC. (US) 2009-08-13 WO disclosed
WO-2009098576-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS PFIZER INC. (US) 2009-08-13 WO disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 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 (2 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-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders HTR6, HTR5A, TPH1 OPRM1 77/4885SIGMAR1 214/4885HDAC4 2384/4885
US-20120172393-A1 (4-Phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone Compounds and Their Use HSD11B1, HSD17B1, HSD3B1 OPRM1 2715/4885SIGMAR1 1733/4885HDAC4 486/4885

“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.