SCHEMBL17888263

SCHEMBL17888263

CC1=CCN(C(=O)OC2CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.38
TPSAB1 Q15661 2/20 0.36
TPSD1 Q9BZJ3 2/20 0.36
TPSG1 Q9NRR2 2/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL14243052 0.94 TPSAB1 (0.42) HRH3TPSAB1TPSD1TPSG1F2
SCHEMBL17888249 0.86 JAK2 (0.36) HRH3JAK2JAK1
SCHEMBL17888257 0.84 GPR119 (0.42) JAK2JAK1
SCHEMBL7447957 0.81 MAPT (0.45)
SCHEMBL17886601 0.81 PDK4 (0.35) HRH3TPSAB1TPSD1TPSG1F2
SCHEMBL21078142 0.81 PRSS1 (0.35) HRH3TPSAB1TPSD1TPSG1F2
SCHEMBL19226371 0.80 HRH3 (0.41) HRH3
SCHEMBL6079220 0.80 L3MBTL1 (0.39)
SCHEMBL14242829 0.77 SLC6A15 (0.39) TPSAB1TPSD1TPSG1PRSS1JAK2
SCHEMBL14243401 0.75 GRM5 (0.44) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
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 (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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HRH3 1610/4885TPSAB1 730/4885TPSD1 509/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HRH3 1610/4885TPSAB1 730/4885TPSD1 509/4885

“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.