SCHEMBL22388545

SCHEMBL22388545

CCCCCCC(C)(CCCCCC)c1n[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ GAA P10253 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CTSV O60911 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALPL P05186 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ UTS2R Q9UKP6 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 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
SCHEMBL13266980 0.74 KDM4E (0.46) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL24406204 0.73 MAPT (0.39) KDM4EPDPK1ALDH1A1HPGDHSD17B10
SCHEMBL2616447 0.73 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL19465416 0.72 FAAH (0.37) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL30471931 0.72 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL29117330 0.72 MEN1 (0.47) KDM4EGAAPDPK1CYP3A4MEN1
SCHEMBL23797047 0.71 KDM4E (0.53) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL25101361 0.71 CYP2C19 (0.49) KDM4EGAACYP3A4MEN1KMT2A
SCHEMBL2876088 0.70 MEN1 (0.45) KDM4EGAAPDPK1CYP3A4MEN1
SCHEMBL22388595 0.70 FAAH (0.52) —

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-11071731-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2021-07-27 — — US disclosed
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2020-09-03 — — 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-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 KDM4E 630/4885GAA 3988/4885PDPK1 1259/4885
US-11071731-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 KDM4E 630/4885GAA 3988/4885PDPK1 1259/4885

“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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