SCHEMBL9891772

SCHEMBL9891772

CC(C)C1CCC(=O)N1c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 5/20 0.37
HDAC8 Q9BY41 5/20 0.37
HDAC6 Q9UBN7 5/20 0.37
CNR2 P34972 1/20 0.35
HDAC5 Q9UQL6 2/20 0.35
EP300 Q09472 2/20 0.35
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL24415451 0.92 CREBBP (0.38) BPTFTSHRHDAC1HDAC8HDAC6
SCHEMBL9891763 0.89 CCR1 (0.43) HDAC1HDAC8HDAC6HDAC5CCR1
SCHEMBL9891773 0.89 HDAC1 (0.36) HDAC1HDAC8HDAC6CCR1CCR2
SCHEMBL9891766 0.87 IDO1 (0.38) HDAC1HDAC8HDAC6
SCHEMBL9891760 0.87 KMT2A (0.45)
SCHEMBL9891768 0.85 HTR7 (0.40) TSHRTP53
SCHEMBL9891774 0.85 HDAC6 (0.32) HDAC1HDAC8HDAC6CNR2
SCHEMBL9891769 0.84 AR (0.40)
SCHEMBL9891761 0.81 SRD5A1 (0.35) CNR2
SCHEMBL9891764 0.81 HDAC1 (0.43) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257894-A1 P300 INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2022-12-15 WO disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 BPTF 3035/4885TSHR 1003/4885HDAC1 1767/4885

“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.