SCHEMBL20032373

SCHEMBL20032373

CCCC(CC)c1ccc(Cl)cc1-c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35

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
SCHEMBL18713807 0.92 KCNH2 (0.44) KCNH2MAPTMEN1ALDH1A1THRB
SCHEMBL20032485 0.88 KCNH2 (0.38) KCNH2DPP4CHRM3CTSA
SCHEMBL20032347 0.85 KCNH2 (0.36) KCNH2CHRM3CTSA
SCHEMBL21366928 0.85 KCNH2 (0.43) KCNH2CNR1
SCHEMBL20032433 0.85 PTGDR2 (0.38) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL20032368 0.84 ALDH1A1 (0.38) MAPTALDH1A1CNR1
SCHEMBL20032478 0.83 MAOB (0.37) MAPTCHRM3TAAR1
SCHEMBL20032364 0.82 MRGPRX4 (0.36) KCNH2S1PR1
SCHEMBL20032484 0.82 MAOB (0.44) MAPTDPP4CNR1
SCHEMBL20032496 0.82 KIF11 (0.35) KCNH2CNR1TPH1

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 3159/4885MAPT 4256/4885MEN1 629/4885

“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.