SCHEMBL20032347

SCHEMBL20032347

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
CHRM3 P20309 5/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GCG P01275 1/20 0.31
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
CTSA P10619 2/20 0.30
PGR P06401 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
SCHEMBL20032485 0.94 KCNH2 (0.38) KCNH2CHRM3PSEN1PSEN2APH1B
SCHEMBL18713559 0.92 KCNH2 (0.42) KCNH2CHRM3GCGAKR1B10AKR1C4
SCHEMBL20032465 0.86 KCNH2 (0.36) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL21366928 0.86 KCNH2 (0.43) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL18713808 0.86 KCNH2 (0.44) KCNH2CHRM3GCGCTSA
SCHEMBL20032373 0.85 KCNH2 (0.38) KCNH2CHRM3CTSA
SCHEMBL20032474 0.83 AKR1C3 (0.36) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL18713620 0.81 KCNH2 (0.38) KCNH2GCGAKR1B10AKR1C4AKR1C3
SCHEMBL20032433 0.80 PTGDR2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20032482 0.80 TRPV1 (0.36) KCNH2CTSA

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 3159/4885CHRM3 3097/4885PSEN1 2972/4885

“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.