SCHEMBL5469015

SCHEMBL5469015

Nc1ccc([C]=O)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
ADRA2B P18089 1/20 0.33
TSHR P16473 3/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CYP3A4 P08684 4/20 0.31
CASP1 P29466 2/20 0.31
RECQL P46063 1/20 0.31
KIF11 P52732 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
SCHEMBL30084909 0.77 TRPV4 (0.57) CYP11B1CYP11B2ALDH1A1KDM4EUSP2
SCHEMBL1156401 0.77 TRPV4 (0.57) CYP11B1CYP11B2ALDH1A1KDM4EUSP2
SCHEMBL30084906 0.77 TRPV4 (0.57) CYP11B1CYP11B2ALDH1A1KDM4EUSP2
SCHEMBL15148277 0.77 CYP11B1 (0.35) CYP11B1CYP11B2ALDH1A1KDM4EUSP2
SCHEMBL7292435 0.76 CASP1 (0.42) ALDH1A1KDM4EUSP2MAPTMAPK1
SCHEMBL96914 0.76 CES2 (0.43) CYP11B1CYP11B2ALDH1A1TDP1TRPV4
Methane SCHEMBL27650148 0.76 TRPV4 (0.55) CYP11B1CYP11B2ALDH1A1KDM4EUSP2
Fluoride SCHEMBL21646063 0.76 TRPV4 (0.55) CYP11B1CYP11B2ALDH1A1KDM4EUSP2
SCHEMBL21201424 0.73 NFE2L2 (0.36) CYP11B1CYP11B2ALDH1A1TDP1TRPV4
SCHEMBL15540252 0.73 TRPV4 (0.33) TRPV4

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-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 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-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C CYP11B1 4115/4885CYP11B2 3326/4885ALDH1A1 1315/4885

“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.