SCHEMBL4130790

SCHEMBL4130790

CS(=O)(=O)c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.47
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM2B Q8NHM5 6/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39

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
SCHEMBL4129148 0.84 MAPT (0.43) KDM2B
SCHEMBL4135879 0.83 ACVR1 (0.42) ALDH1A1CYP1A2CYP2D6TSHRHSD17B10
SCHEMBL4136446 0.83 HRH3 (0.54) ALDH1A1HSD17B10HRH3
SCHEMBL4136329 0.81 HRH3 (0.42) KDM2BHRH3
SCHEMBL4131615 0.80 HRH3 (0.57) CYP2D6TSHRHSD17B10HRH3
SCHEMBL4127896 0.80 HRH3 (0.46) HRH3
SCHEMBL4139050 0.80 HRH3 (0.52) GPR119CYP1A2CYP2D6TSHRCHRM2
SCHEMBL4140809 0.79 KDM2B (0.45) CYP1A2CYP2D6KDM2BHRH3
SCHEMBL4934727 0.78 KCNJ1 (0.42) GPR119ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL4935019 0.78 CNR2 (0.62) ALDH1A1CYP1A2CYP2D6TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 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 (1 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 GPR119 258/4885ALDH1A1 734/4885CYP1A2 1043/4885

“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.