SCHEMBL24101173

SCHEMBL24101173

BC(B)(Cl)C(B)(B)N(c1ccc(C[C@H](N)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OCC)cc1)C(B)(B)C(B)(B)Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.38
▸ MC3R P41968 2/20 0.38
▸ NOS2 P35228 6/20 0.37
▸ NOS3 P29474 3/20 0.37
▸ NOS1 P29475 3/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ MME P08473 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ CPA1 P15085 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ ERAP2 Q6P179 2/20 0.34
▸ LNPEP Q9UIQ6 2/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34

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
SCHEMBL24101006 1.00 MC4R (0.38) MC4RMC3RNOS2NOS3NOS1
SCHEMBL25021306 0.95 MC4R (0.35) MC4RMC3RNOS2NOS3NOS1
SCHEMBL25021254 0.89 NOS2 (0.35) MC4RMC3RNOS2NOS3NOS1
SCHEMBL24506989 0.89 NOS2 (0.37) MC4RMC3RNOS2NOS3NOS1
SCHEMBL24100754 0.88 LMNA (0.38) MC4RMC3RNOS2NOS3NOS1
SCHEMBL24100183 0.87 ACE (0.43) MC4RMC3RMMEACECPA1
SCHEMBL25021304 0.87 NOS2 (0.37) MC4RMC3RNOS2NOS3NOS1
SCHEMBL25021945 0.83 NOS2 (0.35) MC4RMC3RNOS2NOS3NOS1
SCHEMBL24100557 0.83 LMNA (0.44) MC4RMC3RNOS2NOS3NOS1
Melphalan Flufenamide SCHEMBL24101233 0.82 LMNA (0.53) MC4RMC3RNOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210388024-A1 COMPOUNDS CONTAINING DEUTERIUM ONCOPEPTIDES AB (SE) 2021-12-16 — — 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 (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-20210388024-A1 COMPOUNDS CONTAINING DEUTERIUM DHX30, H1-10, REN MC4R 250/4885MC3R 178/4885NOS2 3758/4885

“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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