SCHEMBL21311022

SCHEMBL21311022

CC(C)(C)OC(=O)N1CCC(c2ccc3c(c2)nc(N)n3C2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.47
▸ OGFRL1 Q5TC84 3/20 0.47
▸ OPRD1 P41143 2/20 0.47
▸ PDE4B Q07343 1/20 0.46
▸ OPRK1 P41145 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ EGFR P00533 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ GPR119 Q8TDV5 2/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.40

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
SCHEMBL21310796 0.93 RORC (0.43) OPRM1OGFRL1OPRD1PDE4BNAMPT
SCHEMBL22725499 0.91 OPRM1 (0.49) OPRM1OGFRL1OPRD1PDE4BOPRK1
SCHEMBL21311020 0.82 EGFR (0.44) PDE4BNAMPTEGFRKDM4EMAPT
SCHEMBL21311006 0.81 PDE4B (0.47) OPRM1OGFRL1OPRD1PDE4BOPRK1
SCHEMBL9982687 0.80 OPRM1 (0.60) OPRM1OGFRL1OPRD1OPRK1KDM4E
SCHEMBL16895446 0.80 EGFR (0.45) OPRM1OGFRL1OPRD1OPRK1EGFR
SCHEMBL21310756 0.79 PDE4B (0.49) PDE4BEGFRKDM4EMAPTTHRB
SCHEMBL16791153 0.78 EGFR (0.44) OPRM1OGFRL1OPRD1OPRK1EGFR
SCHEMBL16895619 0.78 EGFR (0.44) OPRM1OGFRL1OPRD1OPRK1EGFR
SCHEMBL9982573 0.77 OPRM1 (0.45) OPRM1OGFRL1OPRD1KDM4EGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 — — US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 — — US disclosed
WO-2019162323-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-29 — — 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 (2 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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 OPRM1 875/4885OGFRL1 642/4885OPRD1 1117/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 OPRM1 967/4885OGFRL1 804/4885OPRD1 1384/4885

“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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