SCHEMBL17888282

SCHEMBL17888282

Cc1ccc(C2(CN)CCN(C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
MCHR1 Q99705 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SLC6A3 Q01959 6/20 0.43
SLC6A4 P31645 3/20 0.43
DPP4 P27487 1/20 0.43
SLC6A2 P23975 1/20 0.41
P2RX7 Q99572 3/20 0.40
GAA P10253 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8352672 0.85 MAOA (0.61) MAOAMAOBTAAR1SLC6A3SLC6A4
SCHEMBL3155718 0.84 OPRM1 (0.51) OPRM1MAOAMAOBTAAR1SLC6A3
SCHEMBL5166600 0.84 SLC6A4 (0.64) OPRM1MCHR1MAOAMAOBTAAR1
SCHEMBL4656331 0.84 SLC6A3 (0.64) OPRM1MAOAMAOBTAAR1SLC6A3
SCHEMBL468959 0.84 MAOA (0.68) OPRM1MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL3597198 0.82 MAOA (0.66) OPRM1MAOAMAOBTAAR1SLC6A3
SCHEMBL17888243 0.82 OPRM1 (0.50) OPRM1MCHR1SLC6A3P2RX7
SCHEMBL19220899 0.81 GRIN2D (0.47) OPRM1MAOAMAOBTAAR1SLC6A3
SCHEMBL5166711 0.81 CHRM5 (0.48) MAOAMAOBTAAR1SLC6A4DPP4
SCHEMBL8353188 0.81 DPP4 (0.59) MAOAMAOBTAAR1SLC6A3SLC6A4

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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885MCHR1 4169/4885MAOA 959/4885

“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.