SCHEMBL3724624

SCHEMBL3724624

CN1C2CC[C@@H]1CC(n1cc(C(=O)O)c3ccccc31)C2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 15/20 0.56
KDM4E B2RXH2 2/20 0.55
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
HTR3E A5X5Y0 6/20 0.48
HTR3B O95264 6/20 0.48
HTR3D Q70Z44 6/20 0.48
HTR3C Q8WXA8 6/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 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
SCHEMBL7490360 1.00 HTR3A (0.56) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL3724622 1.00 HTR3A (0.56) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL2318444 1.00 HTR3A (0.56) HTR3AKDM4EOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL467193 0.99 HTR3A (0.55) HTR3AKDM4EOPRM1OPRD1OPRK1
Iodomethane SCHEMBL1309118 0.97 HTR3A (0.54) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL12486470 0.87 KDM4E (0.69) HTR3AKDM4EOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7296594 0.84 KDM4E (0.50) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL7297917 0.83 KDM4E (0.52) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL7297920 0.83 KDM4E (0.52) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL7294608 0.83 KDM4E (0.49) HTR3AKDM4EOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087364-A1 TROPINE MODULATORS OF 5-HT3 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-04-08 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-20100087364-A1 TROPINE MODULATORS OF 5-HT3 RECEPTOR HTR3A, HTR3B, HTR3E HTR3A 1/4885KDM4E 3298/4885OPRM1 32/4885

“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.