SCHEMBL20032375

SCHEMBL20032375

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.33
MAP4K4 O95819 1/20 0.33
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
CRHR1 P34998 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
IDO1 P14902 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
SCHEMBL18713639 0.92 TRPV1 (0.38) TRPV1PTGS2PTGS1MAP4K4LMNA
SCHEMBL20032350 0.89 PTGS2 (0.34) PTGS2PTGS1LMNACNR1ALDH1A1
SCHEMBL21366762 0.85 PSEN1 (0.39) LMNACNR1ALDH1A1HTTIDO1
SCHEMBL20032371 0.83 KCNH2 (0.40) PTGS2PTGS1ALDH1A1TP53
SCHEMBL20032482 0.83 TRPV1 (0.36) TRPV1CNR1
SCHEMBL20032372 0.82 AKR1C3 (0.39) CNR1SLC1A3SLC1A2SLC1A1
SCHEMBL18713796 0.81 KCNH2 (0.36) MAP4K4LMNACNR1ALDH1A1CRHR1
SCHEMBL20032145 0.81 CSNK2A1 (0.40) MAP4K4
SCHEMBL21366928 0.81 KCNH2 (0.43) PTGS2CNR1TP53IDO1
SCHEMBL18713672 0.80 PTGS2 (0.37) PTGS2PTGS1MAP4K4LMNAALDH1A1

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 430/4885PTGS2 645/4885PTGS1 125/4885

“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.