SCHEMBL21376365

SCHEMBL21376365

CC(C)C(=O)NC1CCOc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 3/20 0.53
▸ TRPV1 Q8NER1 5/20 0.49
▸ P2RX7 Q99572 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ BRD4 O60885 2/20 0.46
▸ CREBBP Q92793 2/20 0.46
▸ MTNR1A P48039 2/20 0.46
▸ MTNR1B P49286 2/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ BIRC3 Q13489 1/20 0.43
▸ BIRC2 Q13490 1/20 0.43

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
SCHEMBL599782 0.83 TRPV1 (0.49) XIAPTRPV1DRD2HTR2ADRD3
SCHEMBL14277888 0.83 TRPV1 (0.49) XIAPTRPV1DRD2HTR2ADRD3
SCHEMBL803487 0.83 TRPV1 (0.49) XIAPTRPV1DRD2HTR2ADRD3
SCHEMBL14452760 0.83 TRPV1 (0.49) XIAPTRPV1DRD2HTR2ADRD3
SCHEMBL4226632 0.83 TRPV1 (0.54) XIAPTRPV1BRD4CREBBPCNR1
SCHEMBL4226634 0.83 TRPV1 (0.54) XIAPTRPV1BRD4CREBBPCNR1
SCHEMBL26962614 0.81 TRPV1 (0.50) XIAPTRPV1BRD4CREBBPCNR1
SCHEMBL27125516 0.81 TRPV1 (0.50) XIAPTRPV1BRD4CREBBPCNR1
SCHEMBL25472337 0.81 XIAP (0.52) XIAPTRPV1BIRC3BIRC2
SCHEMBL20622055 0.80 TRPV1 (0.49) XIAPTRPV1P2RX7BRD4CREBBP

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
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 — — US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 — — US disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 — — 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 (2 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 XIAP 1331/4885TRPV1 3405/4885P2RX7 1425/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 XIAP 1331/4885TRPV1 3405/4885P2RX7 1425/4885

“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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