SCHEMBL21310796

SCHEMBL21310796

CC(C)(C)OC(=O)N1CCC(c2ccc3c(c2)nc(N)n3[C@H]2CC[C@@H](O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ EGFR P00533 3/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OGFRL1 Q5TC84 1/20 0.41
▸ GPR119 Q8TDV5 4/20 0.40
▸ P2RY14 Q15391 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL21311022 0.93 OPRM1 (0.47) RORCNAMPTEGFRPDE4BKDM4E
SCHEMBL22725499 0.85 OPRM1 (0.49) NAMPTPDE4BKDM4EMAPTTHRB
SCHEMBL21311020 0.82 EGFR (0.44) NAMPTEGFRPDE4BKDM4EMAPT
SCHEMBL9982687 0.79 OPRM1 (0.60) KDM4EOPRM1OPRD1OGFRL1GPR119
SCHEMBL21310756 0.76 PDE4B (0.49) EGFRPDE4BKDM4EMAPTTHRB
SCHEMBL9982573 0.76 OPRM1 (0.45) KDM4EOPRM1OPRD1OGFRL1GPR119
SCHEMBL18650898 0.75 USP30 (0.45) RORCOPRM1OPRD1OGFRL1GPR119
SCHEMBL14243229 0.75 PIK3CA (0.56) NAMPTPDE4BKDM4EMAPTTHRB
SCHEMBL21311006 0.74 PDE4B (0.47) NAMPTPDE4BKDM4EMAPTTHRB
SCHEMBL25275816 0.74 SYK (0.52) NAMPTPDE4BKDM4EMAPTTHRB

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 RORC 2435/4885NAMPT 3885/4885EGFR 1/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 RORC 2259/4885NAMPT 3532/4885EGFR 1/4885

“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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