SCHEMBL7523504

SCHEMBL7523504

COCc1[c]ccc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 2/20 0.35
CACNA1H O95180 1/20 0.34
PDE2A O00408 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CFTR P13569 1/20 0.32
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL3791113 0.79 PDE2A (0.39) IDO1SMN1; SMN2PDE2AALDH1A1L3MBTL1
SCHEMBL20721999 0.76 PDE2A (0.35) PDE2ACYP1A2KMT2A
SCHEMBL27969313 0.76 CES2 (0.32) IDO1PDE2AALDH1A1HSD17B10KDM4E
SCHEMBL27672763 0.76 TAAR1 (0.39) IDO1HTR2AHTR2CHTR2B
SCHEMBL27791506 0.76 MAOB (0.31)
SCHEMBL3104276 0.75 HTR2A (0.41) PDE2ACYP1A2ALDH1A1GAAHTR2A
SCHEMBL3089876 0.74 PDE2A (0.32) PDE2AHTR2AHTR2CHTR2B
SCHEMBL5111421 0.73 ACHE (0.31) IDO1
SCHEMBL5547736 0.72 SMN1; SMN2 (0.33) IDO1SMN1; SMN2PDE2ACYP1A2ALDH1A1
SCHEMBL463350 0.72 TRPV1 (0.40) PDE2AALDH1A1L3MBTL1KDM4E

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-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed

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-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP IDO1 2992/4885SMN1; SMN2 4877/4885RAB9A 3242/4885

“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.