SCHEMBL21214481

SCHEMBL21214481

CCCC(C)(C)N1CCC(c2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.43
DRD2 P14416 8/20 0.42
DRD3 P35462 5/20 0.42
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL19226640 0.91 DRD4 (0.46) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL17886515 0.82 DRD4 (0.45) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL21214301 0.80 DRD4 (0.44) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL7833509 0.77 DRD2 (0.59) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL10819399 0.76 DRD4 (0.54) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL171599 0.74 DRD4 (0.48) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL29352448 0.74 DRD4 (0.48) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL7225762 0.73 DRD4 (0.45) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL7215923 0.73 RAB9A (0.49) DRD4DRD2DRD3GRM2
SCHEMBL19117549 0.72 DRD4 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD4 4544/4885DRD2 4124/4885DRD3 4350/4885

“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.