SCHEMBL20032485

SCHEMBL20032485

CCCC(CC)c1ccc(Cl)cc1-c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
GCG P01275 1/20 0.32
MET P08581 2/20 0.32
CTSA P10619 2/20 0.31
CHRM3 P20309 1/20 0.31
DPP4 P27487 1/20 0.31
EEF2K O00418 1/20 0.30
MDM2 Q00987 2/20 0.30
GCGR P47871 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
SCHEMBL20032347 0.94 KCNH2 (0.36) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL18713808 0.91 KCNH2 (0.44) KCNH2GCGMETCTSACHRM3
SCHEMBL20032465 0.89 KCNH2 (0.36) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL21366928 0.89 KCNH2 (0.43) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL20032373 0.88 KCNH2 (0.38) KCNH2CTSACHRM3DPP4
SCHEMBL18713559 0.85 KCNH2 (0.42) KCNH2GCGMETCTSACHRM3
SCHEMBL20032433 0.82 PTGDR2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20032482 0.82 TRPV1 (0.36) KCNH2CTSAGCGR
SCHEMBL21366762 0.81 PSEN1 (0.39) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL20032474 0.80 AKR1C3 (0.36) KCNH2PSEN1PSEN2APH1BNCSTN

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 KCNH2 3159/4885PSEN1 2972/4885PSEN2 4255/4885

“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.