SCHEMBL10016896

SCHEMBL10016896

CC1CCc2cc3[nH]ccc3cc2C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
GPR84 Q9NQS5 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
AHR P35869 3/20 0.37
CMA1 P23946 1/20 0.37
TYR P14679 1/20 0.37
PPARD Q03181 2/20 0.36
HTR1D P28221 4/20 0.35
HTR1B P28222 3/20 0.35
CSNK2A1 P68400 1/20 0.34
ENPP2 Q13822 1/20 0.34
CYP2A6 P11509 1/20 0.34
CREBBP Q92793 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
SCHEMBL24086184 0.75 GPR84 (0.48) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL7435180 0.75 HTR1D (0.62) MEN1KMT2AHTR1DHTR1B
SCHEMBL8912019 0.73 AHR (0.38) MEN1KMT2AAHR
SCHEMBL7418797 0.70 CREBBP (0.43) OPRM1OPRD1OPRK1GPR84MEN1
SCHEMBL28304501 0.69 DRD2 (0.37) MEN1KMT2ACYP2A6
SCHEMBL19113714 0.68 HTR1D (0.34) KMT2AHTR1DHTR1BCYP2A6
SCHEMBL13922060 0.68 KMT2A (0.34) MEN1KMT2AHTR1DHTR1BCYP2A6
SCHEMBL10054053 0.68 HTR1D (0.34) KMT2AHTR1DHTR1BCYP2A6
SCHEMBL6313377 0.68 PNMT (0.44) GPR84AHR
SCHEMBL30481091 0.68 PNMT (0.44) GPR84AHR

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-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2012-07-12 US disclosed
US-8173678-B2 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2012-05-08 US disclosed
US-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2011-03-17 US disclosed
US-7872023-B2 administering 6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carboxylic acid{1-[4-(3-hydroxyphenyl)-(3R)-(4R)-trans-dimethyl-piperidinylmethyl]-(2S)-methylpropyl}-amide, for the treatment of drug abuse and dependence RESEARCH TRIANGLE INSTITUTE (US) 2011-01-18 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 (2 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-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRD1 2/4885OPRK1 1/4885
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRD1 2/4885OPRK1 1/4885

“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.