SCHEMBL17886830

SCHEMBL17886830

CN1CCC(N(C)C(=O)c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
MCHR1 Q99705 7/20 0.55
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
PDK2 Q15119 2/20 0.51
FASN P49327 1/20 0.50
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL17886695 0.92 MCHR1 (0.65) HTR2AHTR2CMCHR1FASN
SCHEMBL18216825 0.88 FASN (0.60) MCHR1HPGDPDK2FASNALDH1A1
SCHEMBL17886774 0.86 HSD11B1 (0.53) HTR2AHTR2CHPGDALOX15
SCHEMBL17886725 0.85 HRH3 (0.52) MCHR1PDK2FASNRAB9A
SCHEMBL25498560 0.84 LMNA (0.65) MCHR1PDK2LMNAALDH1A1
SCHEMBL12082859 0.84 PDK2 (0.61) HTR2AHTR2CMCHR1PDK2LMNA
SCHEMBL1164100 0.82 MCHR1 (0.50) MCHR1PDK2MAPTLMNAALDH1A1
SCHEMBL16553814 0.82 HTR2A (0.54) HTR2AHTR2CMCHR1PDK2LMNA
SCHEMBL94337 0.82 MCHR1 (0.50) MCHR1PDK2MAPTLMNAALDH1A1
SCHEMBL3329900 0.82 CCR5 (0.55) HTR2AHTR2CMCHR1

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 6 patents. 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
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 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
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 (3 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 HTR2A 2521/4885HTR2C 1409/4885MCHR1 4169/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HTR2A 2521/4885HTR2C 1409/4885MCHR1 4169/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HTR2A 2521/4885HTR2C 1409/4885MCHR1 4169/4885

“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.