SCHEMBL17269337

SCHEMBL17269337

C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.44
▸ TRHR P34981 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ PRCP P42785 1/20 0.39
▸ SIRT2 Q8IXJ6 4/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ PREP P48147 2/20 0.39
▸ NMBR P28336 1/20 0.39
▸ CTRB1 P17538 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
SCHEMBL29399601 0.79 SIRT2 (0.49) SIRT2MDM4TP53NMBR
SCHEMBL28913050 0.79 SIRT2 (0.49) SIRT2MDM4TP53NMBR
SCHEMBL28913051 0.79 SIRT2 (0.49) SIRT2MDM4TP53NMBR
SCHEMBL30468161 0.79 SIRT2 (0.55) SIRT2MDM4TP53NMBR
SCHEMBL29759585 0.79 NMBR (0.47) SIRT2MDM4TP53HDAC1HDAC2
SCHEMBL1737899 0.79 MDM4 (0.54) SIRT2MDM4TP53
SCHEMBL30433831 0.79 MDM4 (0.54) SIRT2MDM4TP53
SCHEMBL13227674 0.79 MDM4 (0.54) SIRT2MDM4TP53
SCHEMBL12994493 0.79 MDM4 (0.54) SIRT2MDM4TP53
SCHEMBL29368020 0.79 MDM4 (0.54) SIRT2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016301-A1 Synthesis of Beta-Arrestin Effectors FOREST LABORATORIES HOLDINGS LIMITED (BM) 2018-01-18 — — US disclosed
US-20180016301-A1 Synthesis of Beta-Arrestin Effectors FOREST LABORATORIES HOLDINGS LIMITED (BM) 2018-01-18 — — US disclosed
US-9611293-B2 Synthesis of beta-arrestin effectors TREVENA, INC. (US) 2017-04-04 — — US disclosed
US-9611293-B2 Synthesis of beta-arrestin effectors TREVENA, INC. (US) 2017-04-04 — — US disclosed
WO-2015179349-A2 SYNTHESIS OF BETA-ARRESTIN EFFECTORS TREVENA, INC. (US) 2015-11-26 — — WO disclosed
US-20150329593-A1 Synthesis of Beta-Arrestin Effectors FOREST LABORATORIES HOLDINGS LIMITED (BM) 2015-11-19 — — US disclosed
US-20150329593-A1 Synthesis of Beta-Arrestin Effectors FOREST LABORATORIES HOLDINGS LIMITED (BM) 2015-11-19 — — US 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-20180016301-A1 Synthesis of Beta-Arrestin Effectors ARRB1, ADRB1, ADRB3 REN 666/4885TRHR 614/4885CMA1 3510/4885
US-20150329593-A1 Synthesis of Beta-Arrestin Effectors ARRB1, ADRB1, ADRB3 REN 666/4885TRHR 614/4885CMA1 3510/4885

“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