SCHEMBL24100183

SCHEMBL24100183

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MC4R P32245 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MME P08473 3/20 0.41
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ CYP3A4 P08684 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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 0.87 MC4R (0.38) ACEMC4RMC3RMMECPA1
SCHEMBL24101173 0.87 MC4R (0.38) ACEMC4RMC3RMMECPA1
SCHEMBL22503611 0.83 ALDH1A1 (0.57) ACEALDH1A1MC4RMC3RCA2
SCHEMBL30838090 0.83 ALDH1A1 (0.57) ACEALDH1A1MC4RMC3RCA2
SCHEMBL25021306 0.82 MC4R (0.35) ACEMC4RMC3RMMECPA1
SCHEMBL24100736 0.80 LMNA (0.67) ACEALDH1A1MC4RMC3RCA2
SCHEMBL26120613 0.80 LMNA (0.67) ACEALDH1A1MC4RMC3RCA2
SCHEMBL22503819 0.79 ALDH1A1 (0.64) ACEALDH1A1MC4RMC3RCA2
SCHEMBL22503609 0.79 ALDH1A1 (0.64) ACEALDH1A1MC4RMC3RCA2
SCHEMBL31289125 0.79 ALDH1A1 (0.64) ACEALDH1A1MC4RMC3RCA2

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 ACE 507/4885ALDH1A1 2685/4885MC4R 250/4885

“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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