SCHEMBL20032350

SCHEMBL20032350

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.33
CRHR1 P34998 3/20 0.32
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
S1PR1 P21453 2/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL18713672 0.92 PTGS2 (0.37) PTGS2PTGS1CRHR1LMNAALDH1A1
SCHEMBL20032375 0.89 TRPV1 (0.36) PTGS2PTGS1CRHR1LMNACNR1
SCHEMBL20032482 0.88 TRPV1 (0.36) CNR1CYP1A2HTR2ASLC6A4KCNH2
SCHEMBL21366762 0.85 PSEN1 (0.39) LMNACNR1ALDH1A1HTTHTR2A
SCHEMBL20032447 0.82 AKR1C3 (0.39) LMNA
SCHEMBL18713796 0.81 KCNH2 (0.36) CRHR1LMNACNR1ALDH1A1CYP3A4
SCHEMBL21366928 0.81 KCNH2 (0.43) PTGS2CNR1TP53KCNH2
SCHEMBL20032371 0.81 KCNH2 (0.40) PTGS2PTGS1ALDH1A1CYP1A2CYP2D6
SCHEMBL20032433 0.80 PTGDR2 (0.38)
SCHEMBL18713639 0.80 TRPV1 (0.38) PTGS2PTGS1CRHR1LMNAALDH1A1

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 PTGS2 645/4885PTGS1 125/4885CRHR1 172/4885

“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.