SCHEMBL19998541

SCHEMBL19998541

CC(C)N1CCC(CC(=O)N(C)C)(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
TACR1 P25103 1/20 0.44
OPRM1 P35372 7/20 0.44
OPRL1 P41146 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
MAPK1 P28482 1/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
CHRM1 P11229 1/20 0.39
KCNA3 P22001 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL9963242 0.85 CYP2D6 (0.47) CYP2D6TACR1OPRM1OPRL1SMN1; SMN2
SCHEMBL14507950 0.79 SLC6A4 (0.61) CYP2D6TACR1OPRM1OPRL1SMN1; SMN2
SCHEMBL10057690 0.78 CYP2D6 (0.62) CYP2D6TACR1OPRM1OPRL1SMN1; SMN2
SCHEMBL13923327 0.75 CYP2D6 (0.67) CYP2D6TACR1OPRM1OPRL1SMN1; SMN2
SCHEMBL6499421 0.72 CYP2D6 (0.62) CYP2D6OPRM1OPRL1SMN1; SMN2OPRD1
SCHEMBL19998533 0.71 CYP2D6 (0.61) CYP2D6TACR1OPRM1OPRL1SMN1; SMN2
SCHEMBL8353680 0.71 L3MBTL1 (0.46) CYP2D6OPRM1OPRL1OPRK1
SCHEMBL14507951 0.71 CYP2D6 (0.66) CYP2D6OPRM1OPRL1OPRK1
SCHEMBL16565591 0.71 OPRM1 (0.52) CYP2D6OPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL14507953 0.71 CYP2D6 (0.60) CYP2D6OPRM1OPRL1SMN1; SMN2OPRD1

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 CYP2D6 619/4885TACR1 2662/4885OPRM1 697/4885

“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.