SCHEMBL19652108

SCHEMBL19652108

CN(C(=O)C(C)(C)C)C1CCN(c2cccnn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
RIPK1 Q13546 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
SLC6A7 Q99884 1/20 0.42
GLS O94925 12/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
GPR119 Q8TDV5 1/20 0.37
SLC6A2 P23975 1/20 0.37
TACR1 P25103 1/20 0.37
OPRM1 P35372 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL19658466 0.86 RIPK1 (0.46) TRPV1RIPK1SLC6A7GLSDPP4
SCHEMBL22193579 0.84 AAK1 (0.48) TRPV1RIPK1AAK1SLC6A7GLS
SCHEMBL19652109 0.78 GPR119 (0.55) RIPK1AAK1DPP4DPP8DPP9
SCHEMBL17753768 0.76 RIPK1 (0.41) TRPV1RIPK1SLC6A7GLSDPP4
SCHEMBL19652105 0.76 KDM4E (0.54) GPR119
SCHEMBL19652166 0.76 CKS1B (0.56) TRPV1RIPK1SLC6A7GLSSLC6A2
SCHEMBL19652129 0.76 NPY5R (0.53) AAK1GPR119
SCHEMBL15530912 0.76 DPP4 (0.48) TRPV1RIPK1SLC6A7GLSDPP4
SCHEMBL15530913 0.76 DPP4 (0.48) TRPV1RIPK1SLC6A7GLSDPP4
SCHEMBL12776572 0.74 TRPV1 (0.45) TRPV1RIPK1SLC6A7GLSDPP4

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 TRPV1 1781/4885RIPK1 2204/4885AAK1 2725/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 TRPV1 1781/4885RIPK1 2204/4885AAK1 2725/4885

“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.