SCHEMBL7798973

SCHEMBL7798973

COC(=O)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.48
TSPO P30536 1/20 0.46
CYP2C9 P11712 3/20 0.46
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CYP2D6 P10635 2/20 0.42
ALOX5 P09917 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
SCHEMBL7233182 0.94 TACR1 (0.50) TACR1TSPOCYP2C9CYP1A2CYP3A4
SCHEMBL22160195 0.91 TACR1 (0.51) TACR1CYP2C9EGFRSRC
SCHEMBL7236310 0.88 TACR1 (0.49) TACR1TSPOCYP2C9CYP1A2CYP3A4
SCHEMBL7790369 0.84 CXCR2 (0.52) TACR1TSPOCYP2C9CYP1A2CYP3A4
SCHEMBL7238513 0.81 TSPO (0.56) TACR1TSPOCYP1A2CYP3A4CYP2C19
SCHEMBL28631063 0.81 MEN1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7242930 0.81 PPARG (0.50) TACR1TSPOCYP1A2CYP3A4CYP2C19
SCHEMBL6805872 0.79 TSPO (0.47) TACR1TSPOCYP2C9CYP1A2CYP3A4
SCHEMBL7659833 0.79 TACR1 (0.45) TACR1TSPOCYP1A2CYP3A4CYP2C19
SCHEMBL7241810 0.78 CXCR2 (0.56) TACR1TSPOCYP2C9

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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 TACR1 1285/4885TSPO 2379/4885CYP2C9 822/4885

“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.