SCHEMBL170430

SCHEMBL170430

C=CCc1c(N)cccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 3/20 0.50
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
IMPDH2 P12268 1/20 0.37
DPP4 P27487 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
LTK P29376 1/20 0.34
KDR P35968 1/20 0.34
MAPK8 P45983 1/20 0.34
CSNK1A1 P48729 1/20 0.34
LIMK1 P53667 1/20 0.34
CDK5 Q00535 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL10709835 0.80 IMPDH2 (0.46) ALDH1A1HSD17B10GABRA1GABRB2IMPDH2
SCHEMBL2362467 0.80 GABRA1 (0.52) ALDH1A1HSD17B10GABRA1GABRB2DPP4
SCHEMBL15106928 0.80 GABRA1 (0.39) ALDH1A1HSD17B10GABRA1GABRB2DPP4
SCHEMBL4987129 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10GABRA1GABRB2ADRB2
SCHEMBL15106837 0.79 MAPK1 (0.50) ALDH1A1HSD17B10GABRA1GABRB2DPP4
SCHEMBL5889004 0.79 GABRA1 (0.38) ALDH1A1HSD17B10GABRA1GABRB2DPP4
SCHEMBL15106903 0.79 CYP2A6 (0.50) ALDH1A1GABRA1GABRB2DPP4L3MBTL1
SCHEMBL6546847 0.79 PDCD1 (0.41) ALDH1A1GABRA1GABRB2L3MBTL1ADRB2
Bromide SCHEMBL27823869 0.77 GABRA1 (0.49) GABRA1GABRB2DPP4ADRB2ADRB1
SCHEMBL3789187 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10DPP4L3MBTL1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108675960-A A kind of process for catalytic synthesis of 6- difluoros coffee pyridine class compound 华侨大学 2018-10-19 CN claimed
CN-108912001-A A kind of process for catalytic synthesis of 1,3- dicarbapentaborane class compound 华侨大学 2018-11-30 CN disclosed
CN-101952244-B N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2014-11-05 CN disclosed
CN-101952244-B N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2014-11-05 CN disclosed
US-8785393-B2 Ophthalmic pharmaceutical compositions of DP2 receptor antagonists PANMIRA PHARMACEUTICALS, LLC (US) 2014-07-22 US disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-8338484-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-12-25 US disclosed
US-8338484-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-12-25 US disclosed
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
EP-2245002-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-11-03 EP disclosed
US-20100173313-A1 BIOMARKERS OF INFLAMMATION AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 US disclosed
WO-2010075315-A2 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR ADMINISTRATION TO AN EYE AMIRA PHARMACEUTICALS, INC. (US) 2010-07-01 WO disclosed
WO-2010075314-A2 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR THE TREATMENT OF DERMATOLOGICAL CONDITIONS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-01 WO disclosed
WO-2009099901-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
EP-0464465-B1 Substituted aminoalkylbiphenyl derivatives, antimycotic composition containing them, and intermediates for their preparation HOFFMANN LA ROCHE (CH) 1995-01-11 EP disclosed
EP-0464465-A1 Substituted aminoalkylbiphenyl derivatives, antimycotic composition containing them, and intermediates for their preparation F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2005/4885HSD17B10 1780/4885GABRA1 653/4885
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGIR ALDH1A1 1877/4885HSD17B10 1247/4885GABRA1 556/4885

“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.