SCHEMBL20032482

SCHEMBL20032482

CCCC(CC)c1ccc(Cl)cc1-c1ccc(Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
CYP17A1 P05093 3/20 0.33
KCNH2 Q12809 2/20 0.33
FFAR1 O14842 1/20 0.32
KCNA3 P22001 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
CTSA P10619 1/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
CNR1 P21554 1/20 0.31
CYP1A2 P05177 1/20 0.31
GCGR P47871 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
SCHEMBL18713644 0.92 TRPV1 (0.39) TRPV1CYP17A1KCNH2FFAR1KCNA3
SCHEMBL20032350 0.88 PTGS2 (0.34) KCNH2HTR2ASLC6A4CNR1CYP1A2
SCHEMBL21366928 0.85 KCNH2 (0.43) CYP17A1KCNH2KCNA3CNR1GCGR
SCHEMBL20032447 0.84 AKR1C3 (0.39) GCGR
SCHEMBL18713973 0.83 KCNH2 (0.40) CYP17A1KCNH2CTSAGCGR
SCHEMBL20032501 0.83 P2RX3 (0.38) SLC6A4CTSA
SCHEMBL20032375 0.83 TRPV1 (0.36) TRPV1CNR1
SCHEMBL20032485 0.82 KCNH2 (0.38) KCNH2CTSAGCGR
SCHEMBL20032499 0.82 PTGS2 (0.41) KCNH2
SCHEMBL20032373 0.82 KCNH2 (0.38) KCNH2CTSACNR1

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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TRPV1 430/4885CYP17A1 189/4885KCNH2 3159/4885

“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.