SCHEMBL22209461

SCHEMBL22209461

COC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.52
▸ FKBP1A P62942 2/20 0.50
▸ ELANE P08246 9/20 0.48
▸ ACE P12821 1/20 0.47
▸ LTA4H P09960 3/20 0.46
▸ KLK5 Q9Y337 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL22209463 0.97 CCR1 (0.53) CCR1ELANEACEKLK5ALDH1A1
SCHEMBL18621647 0.97 CCR1 (0.53) CCR1ELANEACEKLK5ALDH1A1
SCHEMBL20484735 0.87 CCR1 (0.56) CCR1ELANEACELTA4H
SCHEMBL18619612 0.87 CCR1 (0.56) CCR1ELANEACELTA4H
SCHEMBL18619643 0.87 CCR1 (0.55) CCR1ELANEACEKLK5ALDH1A1
SCHEMBL22209400 0.87 CCR1 (0.55) CCR1ELANEACEKLK5ALDH1A1
SCHEMBL5967094 0.86 ACE (0.52) FKBP1AACELTA4HKLK5ALDH1A1
SCHEMBL22209519 0.86 ALDH1A1 (0.59) CCR1FKBP1AELANEALDH1A1CYP3A4
SCHEMBL18620866 0.86 ALDH1A1 (0.59) CCR1FKBP1AELANEALDH1A1CYP3A4
SCHEMBL18619639 0.85 ELANE (0.45) CCR1ELANEACEALDH1A1

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 CCR1 1717/4885FKBP1A 163/4885ELANE 2951/4885

“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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