SCHEMBL2554948

SCHEMBL2554948

CN1CCC(C(N)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.53
CYP2D6 P10635 3/20 0.53
CHRM2 P08172 2/20 0.53
ADRA2A P08913 2/20 0.53
CHRM1 P11229 2/20 0.53
DRD1 P21728 2/20 0.53
DRD3 P35462 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KCNH2 Q12809 2/20 0.53
HTR1A P08908 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
MAPK1 P28482 1/20 0.51
CHRM3 P20309 3/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL90797 0.89 OPRM1 (0.46) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL14588870 0.89 OPRM1 (0.46) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL27766881 0.82 AKT2 (0.36) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL16380668 0.82 AKT2 (0.49) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL20206415 0.82 GAA (0.39) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL1423740 0.82 IDO1 (0.54) OPRM1CYP2D6MAPK1AKT2OPRD1
SCHEMBL2149539 0.82 IDO1 (0.54) OPRM1CYP2D6MAPK1AKT2OPRD1
SCHEMBL5945366 0.82 IDO1 (0.54) OPRM1CYP2D6MAPK1AKT2OPRD1
SCHEMBL18228352 0.82 ALDH1A1 (0.46) CHRM2CHRM1CHRM3KDM4E
SCHEMBL3392214 0.81 CARM1 (0.63) OPRM1CYP2D6CHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021016317-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-01-28 WO disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2009-08-27 US disclosed
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2009-08-27 US disclosed
CN-100484524-C Thiazolidine carboxamide derivatives as modulators of the prostaglandin receptor APPLIED RESEARCH SYSTEMS (CH) 2009-05-06 CN disclosed
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2008-10-16 US disclosed
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2008-10-16 US disclosed
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2008-10-16 US disclosed
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor MERCK SERONO SA (CH) 2005-09-29 US disclosed
CN-1655780-A Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor APPLIED RESEARCH SYSTEMS (AN) 2005-08-17 CN disclosed
EP-1487442-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR Applied Research Systems ARS Holding N.V. (AN) 2004-12-22 EP disclosed
WO-2003082278-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-10-09 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 (5 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 OPRM1 2319/4885CYP2D6 3626/4885CHRM2 437/4885
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 OPRM1 339/4885CYP2D6 305/4885CHRM2 1488/4885
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 OPRM1 339/4885CYP2D6 305/4885CHRM2 1488/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 OPRM1 2319/4885CYP2D6 3626/4885CHRM2 437/4885
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor TBXA2R, CNR2, PTGDR OPRM1 142/4885CYP2D6 475/4885CHRM2 423/4885

“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.