SCHEMBL9790835

SCHEMBL9790835

CC(O)C1(c2ccccc2)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.52
HTR2A P28223 1/20 0.44
TACR1 P25103 3/20 0.38
CYP2D6 P10635 3/20 0.38
USP2 O75604 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
OPRD1 P41143 1/20 0.36
AKT2 P31751 1/20 0.36

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
SCHEMBL20876291 0.86 CYP2D6 (0.42) OPRM1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3252178 0.85 OPRM1 (0.55) OPRM1HTR2ATACR1CYP2D6USP2
SCHEMBL19226740 0.82 DRD2 (0.56) HTR2ACYP2D6CYP3A4TSHRSLC6A2
SCHEMBL25306257 0.81 HTR2A (0.38) OPRM1HTR2ACYP2D6SLC6A2SLC6A4
SCHEMBL8655542 0.81 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL27623984 0.81 OPRM1 (0.47) OPRM1HTR2ATACR1CYP2D6CYP1A2
SCHEMBL19226675 0.79 OPRM1 (0.48) OPRM1HTR2ATACR1CYP2D6USP2
SCHEMBL19226431 0.77 OPRM1 (0.47) OPRM1HTR2ATACR1CYP2D6USP2
SCHEMBL27623986 0.77 OPRM1 (0.47) OPRM1HTR2ATACR1CYP2D6USP2
SCHEMBL9378568 0.76 OPRM1 (0.49) OPRM1CYP2D6TSHRSLC6A4SIGMAR1

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-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
US-5019650-A 4-aryl-4-piperidine (or pyrrolidine or hexahydroazepine) carbinols and heterocyclic analogs thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-28 US disclosed
US-4072686-A ANTIDIARRHEAL G. D. SEARLE & CO. (US) 1978-02-07 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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885HTR2A 2521/4885TACR1 1650/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 OPRM1 697/4885HTR2A 1550/4885TACR1 2662/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885HTR2A 2521/4885TACR1 1650/4885

“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.