SCHEMBL3201139

SCHEMBL3201139

CC(C)(C)OC(=O)N1CCNCC1c1cccc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.44
NR1H3 Q13133 14/20 0.44
RXRA P19793 9/20 0.44
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PARP1 P09874 1/20 0.39
RIPK1 Q13546 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37

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
SCHEMBL30595864 0.85 RIPK1 (0.53) NR1H2NR1H3RXRARIPK1
SCHEMBL2640496 0.84 NR1H2 (0.45) NR1H2NR1H3RXRAPARP1RIPK1
SCHEMBL8223030 0.84 RIPK1 (0.51) NR1H2NR1H3RXRAMAPTNPSR1
SCHEMBL874416 0.84 NR1H2 (0.49) NR1H2NR1H3RXRAPARP1RIPK1
SCHEMBL22285173 0.84 NR1H2 (0.49) NR1H2NR1H3RXRAPARP1RIPK1
SCHEMBL4325057 0.84 NR1H2 (0.49) NR1H2NR1H3RXRAPARP1RIPK1
SCHEMBL8878226 0.81 PARP1 (0.45) NR1H2NR1H3RXRAMAPTNPSR1
SCHEMBL28040244 0.79 NR1H2 (0.45) NR1H2NR1H3RXRA
SCHEMBL27757870 0.78 NR1H2 (0.40) NR1H2NR1H3RXRAPARP1
SCHEMBL3697218 0.78 DPP4 (0.47) NR1H2NR1H3PARP1MC4RMC5R

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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 NR1H2 1295/4885NR1H3 1017/4885RXRA 1434/4885

“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.