SCHEMBL308260

SCHEMBL308260

NC(=O)c1cn(C2CC2)c2c[c]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PIM1 P11309 3/20 0.37
TTK P33981 3/20 0.37
PIM2 Q9P1W9 3/20 0.37
KDM4E B2RXH2 3/20 0.36
KDM1A O60341 1/20 0.32
HTR3A P46098 3/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TOP2A P11388 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4982636 0.91 PIM1 (0.44) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL10284065 0.79 KMT2A (0.70) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL3341266 0.76 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3345983 0.72 NR4A2 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28285317 0.72 MEN1 (0.82) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL308725 0.68 MEN1 (0.36) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL3357845 0.67 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL3339082 0.67 KDM4E (0.43) KMT2AKDM4EALDH1A1LMNAPOLB
SCHEMBL17846549 0.67 MEN1 (0.58) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL28914037 0.66 MEN1 (0.60) OPRM1OPRD1OPRK1OPRL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 EP disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 US disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 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-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 OPRM1 760/4885OPRD1 706/4885OPRK1 301/4885

“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.