SCHEMBL3386711

SCHEMBL3386711

CN(C)CCOc1ccc(C=O)nc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.51
▸ CHRNA4 P43681 2/20 0.51
▸ LTA4H P09960 2/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL19816984 0.90 CHRNB2 (0.45) CHRNB2CHRNA4LTA4H
SCHEMBL20550900 0.84 MCHR1 (0.53) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31434287 0.84 MCHR1 (0.53) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30786097 0.84 HRH3 (0.51) CHRNB2CHRNA4LTA4HHRH3KEAP1
SCHEMBL8522859 0.81 MAPT (0.44) LTA4HKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL7373164 0.81 CA12 (0.42) LTA4HALDH1A1CYP2C9
SCHEMBL252784 0.81 GAA (0.39) ALDH1A1
SCHEMBL31371078 0.80 FDPS (0.40) KDM4EALDH1A1
SCHEMBL17662278 0.80 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL31371000 0.79 PDK2 (0.47) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 — — US disclosed
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 — — US disclosed
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 — — US disclosed
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 — — EP disclosed
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 — — EP 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
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2009-08-27 — — 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-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
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 (3 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-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 CHRNB2 1702/4885CHRNA4 741/4885LTA4H 261/4885
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 CHRNB2 1702/4885CHRNA4 741/4885LTA4H 261/4885
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor TBXA2R, CNR2, PTGDR CHRNB2 1539/4885CHRNA4 1088/4885LTA4H 196/4885

“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.

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