SCHEMBL24718848

SCHEMBL24718848

O=C(NC1CCC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ CRHR1 P34998 2/20 0.39
▸ CAPN1 P07384 1/20 0.39
▸ ACSS2 Q9NR19 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ DRD4 P21917 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL24718433 0.93 CRHR1 (0.41) P2RX7RAB9AKMT2ACRHR1CAPN1
SCHEMBL24718427 0.85 TMPRSS4 (0.45) P2RX7RAB9AKMT2A
SCHEMBL24718431 0.85 P2RX7 (0.42) P2RX7RAB9AKMT2ACAPN1ACSS2
SCHEMBL24718382 0.83 TP53 (0.46) P2RX7KMT2ACRHR1TP53SIRT2
SCHEMBL24718241 0.83 TP53 (0.46) P2RX7KMT2ACRHR1TP53SIRT2
SCHEMBL24718416 0.83 TP53 (0.46) P2RX7KMT2ACRHR1TP53SIRT2
SCHEMBL24719128 0.81 SRC (0.43) KMT2ASIRT2SIRT1SIGMAR1HDAC11
SCHEMBL24719136 0.81 CCR2 (0.40) RAB9AKMT2ACRHR1ACSS2SIRT1
SCHEMBL24718838 0.81 TP53 (0.49) P2RX7RAB9AKMT2ATP53SIRT2
SCHEMBL24718637 0.80 TP53 (0.49) P2RX7RAB9AKMT2ATP53SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363633-A1 SUBSTITUTED PYRROLIDONES AND PIPERIDONES AS SMALL MOLECULE INHIBITORS OF EZH2 AND EED PROTEIN BINDING UNITED STATES GOVERNMENT 2022-11-17 — — 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-20220363633-A1 SUBSTITUTED PYRROLIDONES AND PIPERIDONES AS SMALL MOLECULE INHIBITORS OF EZH2 AND EED PROTEIN BINDING EED, EZH2, ELP1 P2RX7 4354/4885RAB9A 1239/4885KMT2A 180/4885

“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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