SCHEMBL2882928

SCHEMBL2882928

FC1(c2ccccc2Cl)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
OPRM1 P35372 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
SIGMAR1 Q99720 2/20 0.38
HDAC4 P56524 1/20 0.38
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
SLC6A4 P31645 3/20 0.37
HTR2A P28223 2/20 0.37
DRD2 P14416 2/20 0.37
SLC6A2 P23975 1/20 0.37
ACAT2 Q9BWD1 1/20 0.35
OPRK1 P41145 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
LMNA P02545 1/20 0.35
GRIN2B Q13224 1/20 0.35
CACNA1C Q13936 1/20 0.35
GRIN2C Q14957 1/20 0.35

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 SCHEMBL14660485 0.98 ADRB1 (0.39) ADRB1OPRM1GRIN1GRIN2ASIGMAR1
Hydrochloric Acid SCHEMBL31069247 0.87 HTR2A (0.41) ADRB1OPRM1GRIN1GRIN2AHDAC4
Hydrochloric Acid SCHEMBL21810777 0.87 HTR2A (0.41) ADRB1OPRM1GRIN1GRIN2AHDAC4
SCHEMBL27671020 0.78 SIGMAR1 (0.42) OPRM1SIGMAR1HTR2CSLC6A4HTR2A
SCHEMBL3474520 0.78 OPRM1 (0.41) OPRM1SIGMAR1HDAC4HTR2CHTR2B
SCHEMBL10007606 0.78 HTR2C (0.43) HTR2CHTR2BSLC6A4HTR2ADRD2
Hydrochloric Acid SCHEMBL1513481 0.77 OPRM1 (0.39) OPRM1SIGMAR1HDAC4HTR2CSLC6A4
SCHEMBL23647453 0.77 ADRB1 (0.40) ADRB1OPRM1GRIN1GRIN2ASIGMAR1
SCHEMBL30017530 0.77 ADRB1 (0.40) ADRB1OPRM1GRIN1GRIN2ASIGMAR1
SCHEMBL655089 0.77 GRIN1 (0.42) ADRB1OPRM1GRIN1GRIN2ASIGMAR1

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
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-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
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
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 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 (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-20120172393-A1 (4-Phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone Compounds and Their Use HSD11B1, HSD17B1, HSD3B1 ADRB1 200/4885OPRM1 2715/4885GRIN1 141/4885
US-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 ADRB1 110/4885OPRM1 13/4885GRIN1 131/4885

“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.