SCHEMBL24105941

SCHEMBL24105941

CC(C)C(=O)NCC1CC2CCC1CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.36
▸ MTNR1B P49286 6/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EPHX2 P34913 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA2A P29274 1/20 0.32

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
SCHEMBL24105922 0.82 MEN1 (0.38) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL25097716 0.80 POLB (0.38) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL21376650 0.77 POLB (0.38) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL12413665 0.73 MEN1 (0.39) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL12414407 0.73 EPHX2 (0.42) EPHX2LMNAHPGDSMN1; SMN2
SCHEMBL26147485 0.73 MTNR1A (0.41) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL24333746 0.73 DPP4 (0.39) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL24105897 0.71 HSD11B1 (0.42) DPP4PREPFAPNPC1RAB9A
SCHEMBL1107035 0.71 TDP1 (0.52) DPP4PREPFAPMEN1KMT2A
SCHEMBL19886207 0.71 EPHX1 (0.43) POLBMEN1NPC1RAB9AKMT2A

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-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

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 MTNR1A 2717/4885MTNR1B 1444/4885DPP4 1073/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 MTNR1A 2717/4885MTNR1B 1444/4885DPP4 1073/4885

“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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