SCHEMBL17677207

SCHEMBL17677207

Cc1ncc(CN2CCC(c3ccccn3)CC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.53
DRD2 P14416 10/20 0.48
DRD3 P35462 7/20 0.48
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
CCR5 P51681 1/20 0.42

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
SCHEMBL17677218 0.86 DRD4 (0.53) DRD4DRD2DRD3SIGMAR1
SCHEMBL6195713 0.84 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1
SCHEMBL16271965 0.82 DRD4 (0.52) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL16271995 0.80 DRD4 (0.52) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL17677241 0.78 DRD4 (0.48) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL10819399 0.78 DRD4 (0.54) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL17677208 0.77 TRPV6 (0.50) DRD4DRD2DRD3
SCHEMBL8844465 0.77 PDCD1LG2 (0.52) DRD4DRD2DRD3SIGMAR1
SCHEMBL14868702 0.77 PDCD1LG2 (0.52) DRD4DRD2DRD3SIGMAR1
SCHEMBL16271979 0.77 DRD4 (0.48) DRD4DRD2DRD3ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
EP-3006438-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2016-04-13 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 (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-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE DRD2, DRD4, DRD1 DRD4 2/4885DRD2 1/4885DRD3 4/4885

“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.