SCHEMBL20003974

SCHEMBL20003974

CC(C)N1CCC(c2ccc(Cl)cc2)(C(C)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.45
SLC6A3 Q01959 7/20 0.45
CYP2D6 P10635 1/20 0.44
OPRK1 P41145 3/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRL1 P41146 2/20 0.42
CHRNA7 P36544 1/20 0.41
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL16565843 0.85 OPRM1 (0.50) SLC6A4SLC6A3OPRK1OPRM1CYP3A4
SCHEMBL7705762 0.84 SLC6A4 (0.55) SLC6A4SLC6A3OPRK1CYP3A4ALOX15
SCHEMBL21078156 0.84 SLC6A4 (0.45) SLC6A4SLC6A3OPRK1OPRM1OPRD1
SCHEMBL17886621 0.81 SLC6A4 (0.43) SLC6A4SLC6A3OPRK1OPRM1OPRD1
SCHEMBL5962422 0.80 OPRM1 (0.63) OPRK1OPRM1OPRD1OPRL1TSHR
SCHEMBL19226740 0.77 DRD2 (0.56) SLC6A4SLC6A3CYP2D6OPRK1CYP3A4
SCHEMBL19998537 0.76 DRD2 (0.46) SLC6A4SLC6A3CYP2D6OPRK1OPRM1
SCHEMBL29964264 0.72 CYP2D6 (0.41) SLC6A4SLC6A3CYP2D6OPRK1OPRM1
SCHEMBL20003975 0.71 SLC6A4 (0.48) SLC6A4SLC6A3CYP2D6OPRK1OPRM1
SCHEMBL17888193 0.70 OPRM1 (0.49) SLC6A3OPRK1OPRM1OPRD1OPRL1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SLC6A4 3188/4885SLC6A3 2605/4885CYP2D6 619/4885

“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.