SCHEMBL4853772

SCHEMBL4853772

CCN(C)c1cc(NC(N)=O)ccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.39
PRKCI P41743 1/20 0.39
TBXAS1 P24557 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38
NR3C2 P08235 5/20 0.38
AOC3 Q16853 1/20 0.38
GRM5 P41594 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
AR P10275 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL4860253 0.84 MAPT (0.41) MAPTHSD17B10ALDH1A1PRKCINR3C2
SCHEMBL4851904 0.82 NR3C2 (0.47) MAPTNR3C2
SCHEMBL4863259 0.82 S1PR1 (0.48) MAPTHSD17B10ALDH1A1CNR1PRKCI
SCHEMBL4864053 0.75 MAPT (0.37) MAPTHSD17B10ALDH1A1PRKCINR3C2
SCHEMBL27627388 0.75 PRKCI (0.63) MAPTHSD17B10ALDH1A1PRKCINR3C2
SCHEMBL23015809 0.73 KDM4E (0.54) MAPTHSD17B10ALDH1A1PRKCINR3C2
SCHEMBL27389810 0.73 HDAC4 (0.46) MAPTHSD17B10ALDH1A1
SCHEMBL15880595 0.73 SMARCA2 (0.61) MAPTHSD17B10NR3C2GRM5
SCHEMBL24473745 0.72 KDM5B (0.50) MAPTALDH1A1PROKR1
SCHEMBL4701803 0.71 NR3C2 (0.55) NR3C2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR MAPT 941/4885HSD17B10 4799/4885ALDH1A1 2993/4885

“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.