SCHEMBL19658399

SCHEMBL19658399

CC(=O)NCC1(C)CCN(C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
NPSR1 Q6W5P4 1/20 0.37
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35
MMP1 P03956 1/20 0.35
HCN4 Q9Y3Q4 6/20 0.34
HCN1 O60741 5/20 0.33
SMYD3 Q9H7B4 1/20 0.33
PARP1 P09874 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP8 P22894 2/20 0.32
MMP14 P50281 2/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22049957 0.83 TSHR (0.42) OPRM1OPRL1MMP9MMP13MMP1
SCHEMBL19652200 0.82 SIGMAR1 (0.34) MMP9MMP13MMP1HCN4HCN1
SCHEMBL19658398 0.80 OPRM1 (0.45) OPRM1OPRL1NPSR1SMYD3MTNR1A
SCHEMBL18214757 0.79
SCHEMBL21451626 0.76 CYP2D6 (0.36) CYP2D6
SCHEMBL14970350 0.75 OPRM1 (0.50) OPRM1OPRL1NPSR1SMYD3MTNR1A
SCHEMBL7628433 0.74 OPRM1 (0.49) OPRM1OPRL1NPSR1MTNR1AMTNR1B
SCHEMBL16304087 0.73 DRD2 (0.37) MMP9MMP13MMP1PARP1CYP2D6
SCHEMBL14804491 0.72 CYP2D6 (0.40) HCN4CYP2D6HRH3SMN1; SMN2
SCHEMBL21214320 0.71 DRD3 (0.54) OPRM1OPRL1SMN1; SMN2

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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 OPRM1 4350/4885OPRL1 2585/4885NPSR1 1227/4885

“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.