SCHEMBL24105897

SCHEMBL24105897

CC(C)C(=O)NCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.42
▸ EPHX2 P34913 8/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ PREP P48147 1/20 0.35
▸ FAP Q12884 1/20 0.35

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
SCHEMBL8556476 0.84 HSD11B1 (0.43) HSD11B1EPHX2L3MBTL1NPC1RAB9A
SCHEMBL24105916 0.82 HSD11B1 (0.40) HSD11B1EPHX2L3MBTL1CHRNB2CHRNB4
SCHEMBL13609189 0.82 KMT2A (0.47) HSD11B1EPHX2L3MBTL1NPC1RAB9A
SCHEMBL21376619 0.79 HSD11B1 (0.47) HSD11B1EPHX2L3MBTL1NPC1RAB9A
SCHEMBL11076676 0.76 HSD11B1 (0.54) HSD11B1EPHX2L3MBTL1NPC1RAB9A
SCHEMBL20665988 0.73 DPP4 (0.36) FPR3FPR2DPP4PREPFAP
SCHEMBL21376258 0.73 EPHX2 (0.46) HSD11B1EPHX2L3MBTL1
SCHEMBL24105941 0.71 MTNR1A (0.36) EPHX2NPC1RAB9ADPP4PREP
SCHEMBL12919905 0.71 EPHX2 (0.61) HSD11B1EPHX2L3MBTL1NPC1
SCHEMBL7719165 0.70 HSD11B1 (0.42) HSD11B1EPHX2

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 HSD11B1 3214/4885EPHX2 1146/4885L3MBTL1 1683/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 HSD11B1 3214/4885EPHX2 1146/4885L3MBTL1 1683/4885

“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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