SCHEMBL769095

SCHEMBL769095

C[C@H](c1ccccc1)N1CC2(OCCO2)C2(CC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.43
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
CYP2D6 P10635 1/20 0.37
FAAH O00519 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 4/20 0.35
OPRK1 P41145 4/20 0.35
OPRD1 P41143 3/20 0.35
OPRL1 P41146 3/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL13483583 0.95 HSD11B1 (0.41) HSD11B1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL3198992 0.84 HSD11B1 (0.41) HSD11B1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL3198988 0.84 HSD11B1 (0.41) HSD11B1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL15099815 0.77 HSD11B1 (0.42) HSD11B1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL739714 0.77 HSD11B1 (0.42) HSD11B1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL740951 0.75 KMT2A (0.44) HSD11B1KMT2ACYP2D6OPRM1OPRK1
SCHEMBL9524001 0.70 CYP2D6 (0.47) HSD11B1ALDH1A1CYP2D6TSHRL3MBTL1
SCHEMBL8775666 0.70 CYP2D6 (0.47) HSD11B1ALDH1A1CYP2D6TSHRL3MBTL1
SCHEMBL740807 0.69 KMT2A (0.39) HSD11B1KMT2AOPRM1OPRK1OPRD1
SCHEMBL762151 0.69 KMT2A (0.41) HSD11B1KMT2ATSHROPRM1OPRK1

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-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
WO-2010141545-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 WO 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-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R HSD11B1 788/4885KMT2A 2648/4885ALDH1A1 1791/4885

“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.