SCHEMBL12598295

SCHEMBL12598295

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.63
▸ OPRM1 P35372 12/20 0.54
▸ OPRK1 P41145 12/20 0.54
▸ OGFRL1 Q5TC84 12/20 0.54
▸ LMNA P02545 1/20 0.53
▸ OPRD1 P41143 10/20 0.50
▸ OPRL1 P41146 1/20 0.46
▸ CCR5 P51681 1/20 0.46
▸ RPS6KA2 Q15349 1/20 0.45
▸ NCF1 P14598 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ FPR2 P25090 1/20 0.43

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
SCHEMBL16407625 0.84 BRD4 (0.59) BRD4OPRM1OPRK1OGFRL1LMNA
SCHEMBL9982687 0.83 OPRM1 (0.60) BRD4OPRM1OPRK1OGFRL1LMNA
SCHEMBL8630899 0.82 OPRM1 (0.49) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL6196424 0.78 RPS6KB1 (0.58) OPRM1OPRK1OGFRL1LMNAOPRD1
SCHEMBL2929873 0.78 RPS6KB1 (0.58) OPRM1OPRK1OGFRL1LMNAOPRD1
SCHEMBL21148134 0.78 RPS6KB1 (0.58) OPRM1OPRK1OGFRL1LMNAOPRD1
SCHEMBL6196431 0.78 RPS6KB1 (0.58) OPRM1OPRK1OGFRL1LMNAOPRD1
SCHEMBL6198016 0.78 RPS6KB1 (0.58) OPRM1OPRK1OGFRL1LMNAOPRD1
SCHEMBL21311046 0.77 RPS6KB1 (0.50) OPRM1OPRK1OGFRL1OPRD1CCR5
SCHEMBL21310915 0.77 RPS6KB1 (0.50) OPRM1OPRK1OGFRL1OPRD1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — US disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 — — 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 BRD4 710/4885OPRM1 1713/4885OPRK1 114/4885

“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.

Send feedback