SCHEMBL5452613

SCHEMBL5452613

C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H](C)N1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP2C19 P33261 2/20 0.51
POLB P06746 1/20 0.49
GFER P55789 1/20 0.49
ATM Q13315 1/20 0.49
MLNR O43193 1/20 0.48
CYP3A4 P08684 1/20 0.48
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HSD11B1 P28845 1/20 0.47
CYP2C9 P11712 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
SCHEMBL5452616 1.00 L3MBTL1 (0.52) L3MBTL1HPGDALDH1A1CYP2C19POLB
SCHEMBL7050115 0.84 TSHR (0.57) L3MBTL1HPGDALDH1A1CYP2C19POLB
SCHEMBL5448229 0.84 KMT2A (0.58) ALDH1A1CYP2C19CYP3A4KMT2ACYP2C9
SCHEMBL5448233 0.84 KMT2A (0.58) ALDH1A1CYP2C19CYP3A4KMT2ACYP2C9
SCHEMBL5449639 0.81 HRH3 (0.54) HPGDALDH1A1CYP2C19MLNRCYP3A4
SCHEMBL5061461 0.78 POLB (0.59) L3MBTL1HPGDALDH1A1POLBSMN1; SMN2
SCHEMBL5055434 0.78 POLB (0.59) L3MBTL1HPGDALDH1A1POLBSMN1; SMN2
SCHEMBL5061467 0.78 POLB (0.59) L3MBTL1HPGDALDH1A1POLBSMN1; SMN2
SCHEMBL5059177 0.78 POLB (0.59) L3MBTL1HPGDALDH1A1POLBSMN1; SMN2
SCHEMBL4227342 0.78 HRH3 (0.57) HPGDALDH1A1CYP2C19MLNRCYP3A4

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 L3MBTL1 2907/4885HPGD 1217/4885ALDH1A1 1775/4885

“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.