SCHEMBL5448233

SCHEMBL5448233

CC1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC(C)N1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
OPRK1 P41145 9/20 0.49
SIGMAR1 Q99720 1/20 0.47
OPRD1 P41143 2/20 0.47
ALDH1A1 P00352 1/20 0.46
OPRM1 P35372 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5448229 1.00 KMT2A (0.58) KMT2AOPRK1SIGMAR1OPRD1ALDH1A1
SCHEMBL5452616 0.84 L3MBTL1 (0.52) KMT2AALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5452613 0.84 L3MBTL1 (0.52) KMT2AALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL24095117 0.80 KMT2A (0.73) KMT2AOPRK1SIGMAR1OPRD1OPRM1
SCHEMBL7384253 0.79 KMT2A (0.59) KMT2AOPRK1SIGMAR1OPRD1CYP3A4
SCHEMBL13504125 0.79 KMT2A (0.68) KMT2AOPRK1SIGMAR1OPRD1CYP3A4
SCHEMBL11687083 0.79 KMT2A (0.68) KMT2AOPRK1SIGMAR1OPRD1CYP3A4
SCHEMBL7384247 0.79 KMT2A (0.59) KMT2AOPRK1SIGMAR1OPRD1CYP3A4
SCHEMBL7050115 0.78 TSHR (0.57) ALDH1A1CYP2C19
SCHEMBL5449639 0.75 HRH3 (0.54) KMT2AOPRK1OPRD1ALDH1A1CYP3A4

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
WO-2007137098-A2 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-29 WO disclosed
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 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-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARD, PPARG, PPARA KMT2A 3154/4885OPRK1 1827/4885SIGMAR1 1920/4885

“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.