SCHEMBL5986952

SCHEMBL5986952

CCC(=O)N1CC(C)OC(C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.53
CHRNA3 P32297 3/20 0.53
CHRNA4 P43681 3/20 0.53
CHRNB3 Q05901 1/20 0.53
CHRNA6 Q15825 1/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
CHRNB4 P30926 2/20 0.52
CHRNA7 P36544 2/20 0.52
FKBP1A P62942 1/20 0.50
PDK1 Q15118 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 4/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12245992 1.00 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13089193 0.87 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22698935 0.83 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5987689 0.83 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL17787727 0.83 ALDH1A1 (0.53) ALDH1A1HPGDCYP2C19FKBP1APDK1
SCHEMBL21543901 0.81 ALDH1A1 (0.51) ALDH1A1HPGDCYP2C19FKBP1APDK1
SCHEMBL1150560 0.81 ALDH1A1 (0.52) ALDH1A1HPGDCYP2C19FKBP1APDK1
SCHEMBL21561680 0.81 ALDH1A1 (0.51) ALDH1A1HPGDCYP2C19FKBP1APDK1
SCHEMBL12862060 0.81 ALDH1A1 (0.51) ALDH1A1HPGDCYP2C19FKBP1APDK1
SCHEMBL7495998 0.81 FKBP1A (0.53) ALDH1A1HPGDCYP2C19FKBP1APDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961256-B2 PRMT5 inhibitors CTXT PTY LTD (AU) 2021-03-30 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-11-02 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 WO disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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 (9 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-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors PRMT5, PRMT1, PRMT3 CHRNB2 994/4885CHRNA3 1180/4885CHRNA4 1891/4885
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 CHRNB2 968/4885CHRNA3 1154/4885CHRNA4 1872/4885
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA3 195/4885CHRNA4 332/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA3 195/4885CHRNA4 332/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA3 195/4885CHRNA4 332/4885
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 CHRNB2 2180/4885CHRNA3 2601/4885CHRNA4 2972/4885
US-10961256-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 CHRNB2 2501/4885CHRNA3 2170/4885CHRNA4 1406/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 CHRNB2 2110/4885CHRNA3 2256/4885CHRNA4 2345/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA3 195/4885CHRNA4 332/4885

“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.