SCHEMBL9982687

SCHEMBL9982687

CC(C)(C)OC(=O)N1CCC(n2c(N)nc3ccccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.60
▸ OGFRL1 Q5TC84 6/20 0.60
▸ OPRD1 P41143 5/20 0.60
▸ OPRK1 P41145 4/20 0.55
▸ CCR5 P51681 3/20 0.49
▸ GPR119 Q8TDV5 3/20 0.48
▸ LMNA P02545 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ CTSD P07339 1/20 0.45
▸ CTSE P14091 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ PRKCG P05129 1/20 0.44
▸ PRKCB P05771 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKCH P24723 1/20 0.44
▸ PRKCE Q02156 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL947135 0.87 LMNA (0.62) OPRM1OGFRL1OPRD1OPRK1CCR5
SCHEMBL4934581 0.86 OPRM1 (0.57) OPRM1OGFRL1OPRD1OPRK1CCR5
SCHEMBL11901080 0.85 OPRM1 (0.58) OPRM1OGFRL1OPRD1OPRK1CCR5
SCHEMBL9982573 0.85 OPRM1 (0.45) OPRM1OGFRL1OPRD1GPR119CTSD
SCHEMBL31632781 0.84 OPRM1 (0.57) OPRM1OGFRL1OPRD1OPRK1CCR5
SCHEMBL27349835 0.84 OPRM1 (0.57) OPRM1OGFRL1OPRD1OPRK1CCR5
SCHEMBL3525096 0.83 CCR5 (0.49) OPRM1OGFRL1OPRD1OPRK1CCR5
SCHEMBL12598295 0.83 BRD4 (0.63) OPRM1OGFRL1OPRD1OPRK1CCR5
SCHEMBL19892358 0.82 CYP11B2 (0.48) OPRM1OGFRL1OPRD1OPRK1CCR5
SCHEMBL6403535 0.82 RPS6KB1 (0.66) OPRM1OGFRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582681-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 — — EP disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — US disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — US disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — US disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 — — WO disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 — — WO 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 OPRM1 956/4885OGFRL1 172/4885OPRD1 902/4885

“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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