SCHEMBL5115024

SCHEMBL5115024

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@](CCO)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 9/20 0.42
CYP3A4 P08684 7/20 0.41
CYP1A2 P05177 3/20 0.41
TSHR P16473 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 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
SCHEMBL4864462 1.00 USP2 (0.42) USP2CYP3A4CYP1A2TSHRCYP2D6
SCHEMBL5106731 0.95 TACR2 (0.39) USP2CYP3A4CYP1A2TSHRCYP2D6
SCHEMBL4631280 0.88 TACR2 (0.49) USP2CYP3A4CYP1A2TSHRCYP2D6
SCHEMBL380713 0.88 USP2 (0.41) USP2CYP3A4CYP1A2TSHRCYP2D6
SCHEMBL380714 0.88 USP2 (0.41) USP2CYP3A4CYP1A2TSHRCYP2D6
SCHEMBL3977770 0.87 KMT2A (0.44) SLC6A2SLC6A4
SCHEMBL3985942 0.87 KMT2A (0.44) SLC6A2SLC6A4
SCHEMBL5106738 0.86 TACR2 (0.38) USP2CYP3A4CYP1A2TSHRCYP2D6
SCHEMBL4870849 0.86 TACR2 (0.38) USP2CYP3A4CYP1A2TSHRCYP2D6
SCHEMBL4631196 0.86 TACR2 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365067-B2 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-20070197570-A1 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2007-08-23 US disclosed
EP-1746095-A1 INDANOL DERIVATIVE Sankyo Company, Limited (JP) 2007-01-24 EP 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-20070197570-A1 Indanol derivative BDKRB2, BDKRB1, TACR2 USP2 4432/4885CYP3A4 366/4885CYP1A2 325/4885

“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.