SCHEMBL3397984

SCHEMBL3397984

CCNc1ccc(Cl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.50
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
RECQL P46063 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABL1 P00519 1/20 0.44
ICMT O60725 1/20 0.41
TSHR P16473 1/20 0.41
PLA2G1B P04054 1/20 0.41
CYP1A2 P05177 1/20 0.41

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 SCHEMBL3395950 0.98 RAPGEF4 (0.49) RAPGEF4MAPTMAPK1KDM4EALDH1A1
SCHEMBL794440 0.84 TSHR (0.57) RAPGEF4MAPTKDM4EALDH1A1MEN1
SCHEMBL30597995 0.84 TSHR (0.57) RAPGEF4MAPTKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL3395744 0.82 TSHR (0.56) RAPGEF4MAPTKDM4EALDH1A1MEN1
SCHEMBL7784526 0.81 SMN1; SMN2 (0.41) RAPGEF4MAPTMAPK1KDM4EALDH1A1
SCHEMBL1799567 0.81 CYP3A4 (0.53) RAPGEF4MAPTKDM4EALDH1A1POLB
SCHEMBL631579 0.81 MAPT (0.46) RAPGEF4MAPTKDM4EALDH1A1POLB
SCHEMBL29659123 0.81 MAPT (0.46) RAPGEF4MAPTKDM4EALDH1A1POLB
SCHEMBL19252495 0.79 RAPGEF4 (0.46) RAPGEF4MAPTMAPK1MEN1KMT2A
SCHEMBL31279021 0.79 RAPGEF4 (0.46) RAPGEF4MAPTMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US claimed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP claimed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 WO claimed
US-10689331-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-23 US disclosed
US-20190002402-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-01-03 US disclosed
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 EP disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
CN-106232582-A Aryl and heteroaryl ether compound as ROR gamma modulators 格兰马克药品股份有限公司 2016-12-14 CN disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 WO disclosed
EP-2787992-A1 CYCLOALKANE CARBOXYLIC ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2014-10-15 EP disclosed
WO-2013084013-A1 CYCLOALKANE CARBOXYLIC ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2013-06-13 WO disclosed
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US disclosed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP disclosed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 WO disclosed
EP-1617807-A4 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP disclosed
EP-1617807-A2 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF Ortho-McNeil Pharmaceuticals, Inc. (US) 2006-01-25 EP disclosed
WO-2004096134-A2 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2004-11-11 WO 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 (4 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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 RAPGEF4 344/4885MAPT 670/4885MAPK1 3213/4885
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC RAPGEF4 1823/4885MAPT 842/4885MAPK1 2349/4885
US-20190002402-A1 IDO INHIBITORS IDO1, IDO2, INMT RAPGEF4 4382/4885MAPT 1988/4885MAPK1 1890/4885
US-10689331-B2 IDO inhibitors IDO1, IDO2, INMT RAPGEF4 4382/4885MAPT 1988/4885MAPK1 1890/4885

“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.