SCHEMBL1365626

SCHEMBL1365626

c1cncc(CN2CC[N]CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.74
CHRNA4 P43681 1/20 0.74
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
TRPV6 Q9H1D0 2/20 0.55
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
DRD3 P35462 2/20 0.54
CASP1 P29466 1/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
GFER P55789 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL3551718 0.94 CHRNB2 (0.76) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL16026435 0.89 CHRNB2 (0.85) CHRNB2CHRNA4KDM4EALDH1A1TDP1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL1538320 0.85 CHRNB2 (1.00) CHRNB2CHRNA4KDM4EALDH1A1TDP1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL30341021 0.85 CHRNB2 (1.00) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL30711590 0.85 CHRNB2 (0.93) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL15800693 0.84 CHRNB2 (0.77) CHRNB2CHRNA4KDM4EALDH1A1TDP1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL27432542 0.84 CHRNB2 (0.96) CHRNB2CHRNA4KDM4EALDH1A1TDP1
Bromide SCHEMBL28127803 0.84 CHRNB2 (0.89) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL5166215 0.84 CHRNB2 (0.96) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL4556631 0.82 CHRNB2 (0.74) CHRNB2CHRNA4KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-0614664-B2 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP claimed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP claimed
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE HOLDINGS CORPORATION (US) 2019-03-12 US disclosed
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2018-06-07 US disclosed
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 US disclosed
US-20160376240-A1 6 Phenyl or 6 Pyridin 3 YL Indazole Derivatives and Methods of Use ABBVIE INC. (US) 2016-12-29 US disclosed
EP-3097091-A1 6-PHENYL- OR 6-(PYRIDIN-3-YL)INDAZOLE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP disclosed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-5889009-A ADMINISTERING 1,7-DISUBSTITUTED-4-OX-3-(QUINOLINECARBOXYLIC ACID OR NAPHTHYRIDINECARBOXYLIC ACID) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP disclosed
US-5703081-A CELL ADHESION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed
US-5519024-A CELL ADHESION INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
EP-0614664-A1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-14 EP disclosed
US-4533554-A ANALGESICS, HYPOTENSIVE AGENTS, ANTI-INFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-08-06 US disclosed
US-4388312-A HYPOTENSIVE AGENTS, ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-06-14 US disclosed
EP-0025692-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP disclosed
EP-0025692-A1 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-03-25 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 (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-20160376240-A1 6 Phenyl or 6 Pyridin 3 YL Indazole Derivatives and Methods of Use MUSK, NTRK3, NTRK2 CHRNB2 647/4885CHRNA4 637/4885KDM4E 3562/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 CHRNB2 4783/4885CHRNA4 4820/4885KDM4E 1268/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 CHRNB2 4783/4885CHRNA4 4820/4885KDM4E 1268/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 CHRNB2 4783/4885CHRNA4 4820/4885KDM4E 1268/4885

“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.