SCHEMBL20032433

SCHEMBL20032433

CCCC(CC)c1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CHRM1 P11229 4/20 0.36
PYGL P06737 1/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
KDM4E B2RXH2 3/20 0.35
S100A4 P26447 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL18713538 0.91 PTGDR2 (0.42) PTGDR2CHRM1PYGLADORA1ADORA3
SCHEMBL21366762 0.87 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21366928 0.85 KCNH2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20032364 0.85 MRGPRX4 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20032373 0.85 KCNH2 (0.38) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL20032368 0.85 ALDH1A1 (0.38)
SCHEMBL20032496 0.83 KIF11 (0.35) FFAR1
SCHEMBL20032484 0.83 MAOB (0.44) FFAR1CYP17A1
SCHEMBL20032144 0.83 FNTA (0.41) KDM4EKMT2AMEN1FFAR1
SCHEMBL20032485 0.82 KCNH2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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 PTGDR2 872/4885PSEN1 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.