SCHEMBL7709273

SCHEMBL7709273

CC(C)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.72
DRD2 P14416 2/20 0.67
HTR1A P08908 1/20 0.67
ADRA2A P08913 1/20 0.67
HTR2A P28223 1/20 0.67
SLC6A4 P31645 1/20 0.67
DRD3 P35462 1/20 0.67
PLD1 Q13393 4/20 0.60
PLD2 O14939 3/20 0.60
CHRM1 P11229 3/20 0.58
OPRD1 P41143 1/20 0.56
OPRK1 P41145 1/20 0.56
OPRL1 P41146 1/20 0.56

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
SCHEMBL25802931 0.90 OPRM1 (0.70) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL14486721 0.86 OPRM1 (0.58) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL10316252 0.86 DRD2 (0.76) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL26666399 0.85 DRD2 (0.70) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL14486970 0.85 OPRM1 (0.54) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL19358807 0.84 OPRM1 (1.00) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL19358791 0.84 OPRM1 (0.89) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL14805870 0.82 DRD2 (0.67) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL20741792 0.82 OPRM1 (1.00) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL1101959 0.82 OPRM1 (0.77) OPRM1PLD1PLD2CHRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023198597-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-10-19 WO disclosed
WO-2023118319-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-06-29 WO disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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 (3 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A OPRM1 1599/4885DRD2 729/4885HTR1A 507/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A OPRM1 1599/4885DRD2 729/4885HTR1A 507/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A OPRM1 1599/4885DRD2 729/4885HTR1A 507/4885

“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.