SCHEMBL20003975

SCHEMBL20003975

COCC1(c2ccc(Cl)cc2)CCN(C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.48
SLC6A3 Q01959 7/20 0.48
SLC6A2 P23975 5/20 0.48
TACR1 P25103 2/20 0.44
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL16565196 0.83 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL19998537 0.82 DRD2 (0.46) SLC6A4SLC6A3SLC6A2TACR1CYP2D6
SCHEMBL21078004 0.82 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL17886622 0.79 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL27982226 0.77 ALDH1A1 (0.44) SLC6A4SLC6A3SLC6A2CYP2D6MEN1
SCHEMBL373790 0.75 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2TACR1CYP2D6
SCHEMBL21214320 0.74 DRD3 (0.54) SLC6A4SLC6A3SLC6A2MCHR1OPRM1
SCHEMBL5361649 0.74 OPRM1 (0.51) SLC6A4SLC6A2TACR1CYP2D6MEN1
SCHEMBL5962422 0.73 OPRM1 (0.63) MEN1POLBKMT2AOPRM1OPRD1
SCHEMBL973548 0.73 MEN1 (0.52) TACR1MEN1KMT2AOPRD1OPRK1

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 2605/4885SLC6A2 2453/4885

“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.