SCHEMBL22209497

SCHEMBL22209497

COC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)c1cccc(Br)c1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.49
▸ PREP P48147 2/20 0.48
▸ ACE P12821 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CMA1 P23946 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ MALT1 Q9UDY8 2/20 0.44
▸ ELANE P08246 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CTSG P08311 1/20 0.42
▸ CCR1 P32246 1/20 0.42

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
SCHEMBL18621642 1.00 TAAR1 (0.49) TAAR1PREPACEALDH1A1CMA1
SCHEMBL20484748 0.90 ACE (0.50) TAAR1PREPACECMA1
SCHEMBL18619615 0.90 ACE (0.50) TAAR1PREPACECMA1
SCHEMBL22209501 0.88 TAAR1 (0.49) TAAR1PREPACEALDH1A1NPC1
SCHEMBL22811071 0.88 CMA1 (0.50) TAAR1PREPACECMA1NPC1
SCHEMBL18619644 0.88 TAAR1 (0.49) TAAR1PREPACEALDH1A1NPC1
SCHEMBL18621640 0.88 PREP (0.52) TAAR1PREPACEALDH1A1ELANE
SCHEMBL22209498 0.88 PREP (0.52) TAAR1PREPACEALDH1A1ELANE
SCHEMBL18620607 0.87 ACE (0.57) TAAR1PREPACEALDH1A1NPC1
SCHEMBL22209426 0.87 ACE (0.57) TAAR1PREPACEALDH1A1NPC1

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-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 — — 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-10711036-B2 MALT1 inhibitors and uses thereof MALT1, BCL3, BCL6 TAAR1 4584/4885PREP 1162/4885ACE 4214/4885

“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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