SCHEMBL19652102

SCHEMBL19652102

CN(CC1CCN(C2CCC2)CC1)C(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
CYP2D6 P10635 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
BCHE P06276 1/20 0.34
HTR4 Q13639 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
OGFRL1 Q5TC84 2/20 0.32
ALOX5 P09917 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19652132 0.94 BCHE (0.36) SIGMAR1CYP2D6DPP4DPP8DPP9
SCHEMBL19652281 0.86 ACHE (0.39) SIGMAR1HRH3BCHEHTR4MEN1
SCHEMBL19658743 0.84 HRH3 (0.40) HRH3DPP4BCHEALOX5
SCHEMBL19652110 0.82 NCF1 (0.38) SIGMAR1CYP2D6DPP4DPP8DPP9
SCHEMBL25564696 0.81 ALOX5 (0.39) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL19658780 0.81 HRH3 (0.37) SIGMAR1HRH3DPP4BCHE
SCHEMBL23560054 0.79 SMN1; SMN2 (0.42) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL19652123 0.79 ACHE (0.41) BCHEMEN1KMT2A
SCHEMBL19652167 0.79 ACHE (0.44) SIGMAR1HTR4OPRM1
SCHEMBL19652117 0.78 HRH3 (0.39) SIGMAR1HRH3CYP2D6DPP4DPP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
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 (2 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 SIGMAR1 1530/4885HRH3 131/4885CYP2D6 3694/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 SIGMAR1 1530/4885HRH3 131/4885CYP2D6 3694/4885

“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.