SCHEMBL23903537

SCHEMBL23903537

CC(C)C[C@H](Nc1ccccc1)C(=O)N1CCC(C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.50
▸ CCKBR P32239 1/20 0.49
▸ CACNA1B Q00975 3/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ ITGB1 P05556 2/20 0.43
▸ ITGA4 P13612 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CTSK P43235 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 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
SCHEMBL23903518 0.88 CCR1 (0.53) CCR1TRPV1ALDH1A1CTSKGAA
SCHEMBL23903522 0.88 CCR1 (0.53) CCR1TRPV1ALDH1A1CTSKGAA
SCHEMBL25442301 0.85 CASP3 (0.40) CCR1CCKBRCACNA1BCASP3MAPK1
SCHEMBL25442295 0.78 CCR1 (0.49) CCR1ALDH1A1NPSR1KMT2ACTSK
SCHEMBL25442293 0.78 CCR1 (0.49) CCR1ALDH1A1NPSR1KMT2ACTSK
SCHEMBL25443149 0.74 CCR1 (0.46) CCR1TRPV1
SCHEMBL8252174 0.74 ALDH1A1 (0.63) KDM4EALDH1A1
SCHEMBL25442300 0.73 CCR1 (0.41) CCR1TRPV1ALDH1A1NPSR1CTSK
SCHEMBL25442302 0.73 CCR1 (0.41) CCR1TRPV1ALDH1A1NPSR1CTSK
SCHEMBL3448513 0.73 MAPK1 (0.56) CASP3MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 — — US disclosed
WO-2021203016-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-07 — — WO 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-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 CCR1 4742/4885CCKBR 4815/4885CACNA1B 4758/4885

“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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