SCHEMBL4863259

SCHEMBL4863259

CCCN(CCC)c1cc(NC(N)=O)ccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 1/20 0.48
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HCAR3 P49019 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.40
AOC3 Q16853 1/20 0.40
AR P10275 3/20 0.39
PRKCI P41743 1/20 0.39
NR3C2 P08235 2/20 0.39
MCHR1 Q99705 1/20 0.37

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
SCHEMBL4853772 0.82 MAPT (0.43) MAPTHSD17B10ALDH1A1CNR1AOC3
SCHEMBL4860253 0.81 MAPT (0.41) MAPTHSD17B10ALDH1A1PRKCINR3C2
SCHEMBL3353364 0.79 HCAR3 (0.48) S1PR1S1PR3HSD17B10HCAR3AOC3
SCHEMBL4864053 0.78 MAPT (0.37) MAPTHSD17B10ALDH1A1PRKCINR3C2
Hydrochloric Acid SCHEMBL3855650 0.78 HCAR3 (0.47) S1PR1S1PR3HSD17B10HCAR3AOC3
SCHEMBL23015809 0.76 KDM4E (0.54) MAPTHSD17B10ALDH1A1ARPRKCI
SCHEMBL27627388 0.75 PRKCI (0.63) MAPTHSD17B10ALDH1A1ARPRKCI
SCHEMBL4851904 0.74 NR3C2 (0.47) MAPTNR3C2
SCHEMBL3352698 0.74 HCAR3 (0.60) S1PR1S1PR3MAPTHCAR3ALDH1A1
SCHEMBL16968859 0.73 AR (0.39) MAPTHSD17B10ALDH1A1ARPRKCI

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 S1PR1 777/4885S1PR3 618/4885MAPT 941/4885

“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.