SCHEMBL19220899

SCHEMBL19220899

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRM1 P35372 1/20 0.47
GRIN1 Q05586 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SLC6A3 Q01959 8/20 0.41
SLC6A4 P31645 7/20 0.40
DPP4 P27487 2/20 0.40
SLC6A2 P23975 2/20 0.38
LMNA P02545 1/20 0.35
AKT1 P31749 2/20 0.35

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
SCHEMBL12346684 0.86 SLC6A3 (0.58) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL3325272 0.85 OPRM1 (0.67) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL19220901 0.84 OPRM1 (0.44) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL17888282 0.81 OPRM1 (0.50) OPRM1MAOAMAOBTAAR1SLC6A3
SCHEMBL19220897 0.81 OPRM1 (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL19998549 0.81 OPRM1 (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL17886539 0.81 OPRM1 (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL8352672 0.80 MAOA (0.61) MAOAMAOBTAAR1SLC6A3SLC6A4
SCHEMBL17886537 0.80 OPRM1 (0.44) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL19998551 0.80 OPRM1 (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 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 (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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 GRIN2D 1456/4885GRIN3B 1935/4885CHRM2 515/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 GRIN2D 659/4885GRIN3B 991/4885CHRM2 2296/4885

“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.