SCHEMBL9933942

SCHEMBL9933942

C#CCC[C@@H](NC(=O)O)C(O[Si](C)(C)C(C)(C)C)c1ccc(Cl)nc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31
P2RX7 Q99572 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9933938 1.00 LMNA (0.32) LMNAGAAP2RX7AKR1C3AKR1C2
SCHEMBL17986578 0.88 CYP26A1 (0.33) LMNA
SCHEMBL1155853 0.85 AKR1C3 (0.33) GAAAKR1C3AKR1C2
SCHEMBL1155855 0.85 AKR1C3 (0.33) GAAAKR1C3AKR1C2
SCHEMBL11899482 0.84 CYP3A4 (0.35)
SCHEMBL11899481 0.84 CYP3A4 (0.35)
SCHEMBL9962995 0.84 ATM (0.39)
SCHEMBL1155654 0.75 APLNR (0.41) LMNAGAA
SCHEMBL1155653 0.75 APLNR (0.41) LMNAGAA
SCHEMBL16629773 0.74 ATM (0.37) LMNAGAA

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
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 LMNA 1824/4885GAA 2706/4885P2RX7 344/4885

“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.