SCHEMBL14826124

SCHEMBL14826124

Nc1nc2ccccc2n1C1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OGFRL1 Q5TC84 10/20 0.47
▸ OPRM1 P35372 7/20 0.47
▸ OPRK1 P41145 7/20 0.47
▸ OPRD1 P41143 6/20 0.47
▸ MBTD1 Q05BQ5 1/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RPS6KB1 P23443 3/20 0.44
▸ ROCK1 Q13464 3/20 0.44
▸ GFER P55789 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ NOS2 P35228 1/20 0.42
▸ PRKACA P17612 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL9982481 0.86 DHFR (0.44) OGFRL1OPRM1OPRK1OPRD1RPS6KB1
SCHEMBL8630899 0.82 OPRM1 (0.49) OGFRL1OPRM1OPRK1OPRD1RPS6KB1
SCHEMBL6196424 0.82 RPS6KB1 (0.58) OGFRL1OPRM1OPRK1OPRD1L3MBTL1
SCHEMBL21148134 0.82 RPS6KB1 (0.58) OGFRL1OPRM1OPRK1OPRD1L3MBTL1
SCHEMBL2929873 0.82 RPS6KB1 (0.58) OGFRL1OPRM1OPRK1OPRD1L3MBTL1
SCHEMBL6198016 0.82 RPS6KB1 (0.58) OGFRL1OPRM1OPRK1OPRD1L3MBTL1
SCHEMBL6196431 0.82 RPS6KB1 (0.58) OGFRL1OPRM1OPRK1OPRD1L3MBTL1
SCHEMBL21311236 0.81 RPS6KB1 (0.50) OGFRL1OPRM1OPRK1OPRD1RPS6KB1
SCHEMBL21311255 0.80 OPRM1 (0.59) OGFRL1OPRM1OPRK1OPRD1L3MBTL1
SCHEMBL11716653 0.80 OPRM1 (0.52) OPRM1OPRK1OPRD1CYP2D6CCR5

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-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — 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-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 OGFRL1 172/4885OPRM1 956/4885OPRK1 610/4885

“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.

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