SCHEMBL2388166

SCHEMBL2388166

CN(C)CCN1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.71
HTR7 P34969 16/20 0.66
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.57

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
SCHEMBL3453730 0.83 DRD2 (1.00) DRD2HTR7OPRM1DRD3
SCHEMBL1598706 0.81 DRD2 (0.74) DRD2HTR7OPRM1DRD3
SCHEMBL28662734 0.81 DRD2 (0.83) DRD2HTR7OPRM1DRD3
SCHEMBL4516115 0.80 DRD2 (0.72) DRD2HTR7OPRM1DRD3
SCHEMBL7240053 0.80 DRD2 (0.72) DRD2HTR7OPRM1DRD3
SCHEMBL1599712 0.80 DRD2 (0.77) DRD2HTR7OPRM1DRD3
SCHEMBL9723025 0.79 DRD2 (0.68) DRD2HTR7OPRM1DRD3
SCHEMBL1039861 0.77 DRD2 (0.68) DRD2OPRM1DRD3
SCHEMBL29566812 0.77 DRD2 (0.68) DRD2OPRM1DRD3
SCHEMBL3187228 0.77 DRD2 (0.67) DRD2HTR7OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101415691-B Triazole derivatives TAISHO PHARMACEUTICAL CO.,LTD. (JP) 2011-12-14 CN disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
CN-101415691-A Triazole derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-22 CN disclosed
EP-1988083-A1 TRIAZOLE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2008-11-05 EP 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-20110269960-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 DRD2 569/4885HTR7 1064/4885OPRM1 1465/4885
US-20100041655-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 DRD2 550/4885HTR7 970/4885OPRM1 1412/4885

“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.