SCHEMBL20032447

SCHEMBL20032447

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
NOTUM Q6P988 6/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
LMNA P02545 1/20 0.36
CCR2 P41597 3/20 0.35
SLC22A12 Q96S37 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SCN9A Q15858 1/20 0.34
GCGR P47871 1/20 0.34

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
SCHEMBL18713804 0.92 AKR1C3 (0.42) AKR1C3AKR1C2CTSSCTSKNOTUM
SCHEMBL20032372 0.90 AKR1C3 (0.39) AKR1C3AKR1C2SCN9A
SCHEMBL20032482 0.84 TRPV1 (0.36) GCGR
SCHEMBL20032350 0.82 PTGS2 (0.34) LMNA
SCHEMBL18713986 0.82 AKR1C3 (0.42) AKR1C3AKR1C2SCN9A
SCHEMBL18713979 0.82 KCNH2 (0.38) AKR1C3AKR1C2CTSSCTSKGCGR
SCHEMBL21507822 0.80 KDM4E (0.43) AKR1C3AKR1C2NOTUMTMPRSS4CCR2
SCHEMBL21725513 0.80 KCNH2 (0.35) AKR1C3AKR1C2LMNACCR2
SCHEMBL20032375 0.80 TRPV1 (0.36) LMNA
SCHEMBL21366928 0.79 KCNH2 (0.43) KDM4EGCGR

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 AKR1C3 157/4885AKR1C2 103/4885CTSS 942/4885

“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.