SCHEMBL740807

SCHEMBL740807

C[C@H](c1ccccc1)N1C[C@@](CC(C)(C)C)(C(=O)O)C2(CC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 12/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2C9 P11712 5/20 0.38
OPRL1 P41146 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
METAP2 P50579 2/20 0.36
P2RX7 Q99572 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
SCHEMBL3979675 0.81 OPRM1 (0.40) KMT2AHSD11B1CYP3A4CYP2C9OPRL1
SCHEMBL740951 0.77 KMT2A (0.44) KMT2AHSD11B1CYP3A4OPRL1MAPT
SCHEMBL741948 0.73 KMT2A (0.43) KMT2AHSD11B1CYP3A4CYP2C9OPRL1
SCHEMBL739249 0.73 KMT2A (0.43) KMT2AHSD11B1CYP3A4CYP2C9OPRL1
SCHEMBL762151 0.73 KMT2A (0.41) KMT2AHSD11B1CYP3A4CYP2C9OPRL1
SCHEMBL15099815 0.71 HSD11B1 (0.42) KMT2AHSD11B1OPRL1OPRM1OPRD1
SCHEMBL739714 0.71 HSD11B1 (0.42) KMT2AHSD11B1OPRL1OPRM1OPRD1
SCHEMBL4772735 0.70 KMT2A (0.39) KMT2AHSD11B1OPRL1MAPTMETAP2
SCHEMBL769095 0.69 HSD11B1 (0.43) KMT2AHSD11B1OPRL1OPRM1OPRD1
SCHEMBL14671520 0.67 KMT2A (0.41) KMT2AHSD11B1OPRL1MAPTOPRM1

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
US-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-8003666-B2 Hydrate for medical purposes DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 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-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, NQO2, COASY KMT2A 2544/4885HSD11B1 769/4885CYP3A4 158/4885

“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.