SCHEMBL21164522

SCHEMBL21164522

CCCC(CC)c1cccc(CN)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
ENPP2 Q13822 1/20 0.40
LOXL2 Q9Y4K0 3/20 0.39
NOS1 P29475 6/20 0.38
NOS2 P35228 6/20 0.38
NOS3 P29474 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
ADRA1D P25100 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL13593518 0.93 PNMT (0.42) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL13593566 0.90 PNMT (0.38) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL13508600 0.89 PNMT (0.45) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL27482090 0.87 PNMT (0.38) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL24969886 0.83 PRKCA (0.39) ENPP2ESR1ESR2AOC3
SCHEMBL13092691 0.83 PNMT (0.40) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL28106044 0.82 LOXL2 (0.40) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL7976600 0.79 KIF11 (0.40) NOS1NOS2NOS3ALDH1A1CYP3A4
SCHEMBL1945278 0.79 ENPP2 (0.44) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL19035317 0.79 CPN1 (0.40) ALDH1A1CYP3A4AOC3

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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PNMT 107/4885ENPP2 489/4885LOXL2 1549/4885

“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.