SCHEMBL823074

SCHEMBL823074

CC(=O)O[C@H]1CCNC1c1c[nH]c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.44
HSD11B1 P28845 9/20 0.43
SLC6A4 P31645 1/20 0.41
MTNR1A P48039 1/20 0.40
OPRL1 P41146 3/20 0.39
OPRM1 P35372 3/20 0.39
OPRK1 P41145 2/20 0.39
CAMKK2 Q96RR4 2/20 0.39
CAMKK1 Q8N5S9 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL14280714 0.80 SLC6A4 (0.45) MAP2K1HSD11B1SLC6A4MTNR1AOPRL1
SCHEMBL14529648 0.80 SLC6A4 (0.45) MAP2K1HSD11B1SLC6A4MTNR1AOPRL1
SCHEMBL818489 0.79 MTNR1A (0.48) MAP2K1SLC6A4MTNR1A
SCHEMBL820684 0.79 MTNR1A (0.48) MAP2K1SLC6A4MTNR1A
SCHEMBL5766451 0.70 POLB (0.40)
SCHEMBL5766449 0.70 POLB (0.40)
SCHEMBL5766457 0.70 POLB (0.40)
SCHEMBL2262735 0.69 OPRL1 (0.59) HSD11B1SLC6A4OPRL1OPRM1OPRK1
SCHEMBL29869395 0.69 OPRL1 (0.59) HSD11B1SLC6A4OPRL1OPRM1OPRK1
SCHEMBL2511843 0.69 SLC22A6 (0.58) MAP2K1MTNR1ACAMKK2CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 MAP2K1 3375/4885HSD11B1 4278/4885SLC6A4 4770/4885

“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.