SCHEMBL19692723

SCHEMBL19692723

CCC(c1ccc([C@H](C)N)cc1)N1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ MC4R P32245 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ IDH1 O75874 4/20 0.37
▸ IDH2 P48735 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL21799099 1.00 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL21378432 1.00 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL21799120 0.87 ALDH1A1 (0.37) KDM4EALDH1A1CHRM1CHRM2MC4R
SCHEMBL21799118 0.87 ALDH1A1 (0.37) KDM4EALDH1A1CHRM1CHRM2MC4R
SCHEMBL21799116 0.84 IDH1 (0.41) ALDH1A1CHRM1MC4RIDH1IDH2
SCHEMBL21799045 0.84 IDH1 (0.41) ALDH1A1CHRM1MC4RIDH1IDH2
SCHEMBL21378463 0.84 IDH1 (0.41) ALDH1A1CHRM1MC4RIDH1IDH2
SCHEMBL21799122 0.84 IDH1 (0.41) ALDH1A1CHRM1MC4RIDH1IDH2
SCHEMBL21378465 0.84 IDH1 (0.41) ALDH1A1CHRM1MC4RIDH1IDH2
SCHEMBL21799149 0.83 IDH1 (0.40) OPRM1OPRD1OPRK1OPRL1KDM4E

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
EP-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 — — EP disclosed
US-10696665-B2 Mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2020-06-30 — — US disclosed
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 — — US disclosed
EP-3464281-A1 MUTANT IDH1 INHIBITORS Eli Lilly and Company (US) 2019-04-10 — — EP disclosed
WO-2017213910-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-12-14 — — 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-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A OPRM1 3928/4885OPRD1 4428/4885OPRK1 4636/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A OPRM1 3928/4885OPRD1 4428/4885OPRK1 4636/4885

“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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