SCHEMBL19652117

SCHEMBL19652117

CC(C)N1CCC(CN(C)C(=O)C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.39
KCNH2 Q12809 3/20 0.39
CYP2D6 P10635 2/20 0.39
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
KDM4E B2RXH2 1/20 0.32
HTR4 Q13639 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL19652095 0.86 ACHE (0.39) HRH3KCNH2CYP2D6HTR4
SCHEMBL19652110 0.82 NCF1 (0.38) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL13212857 0.82 HRH3 (0.38) HRH3KCNH2CYP2D6DPP4KDM4E
SCHEMBL25564696 0.81 ALOX5 (0.39) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL19652132 0.81 BCHE (0.36) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL23560054 0.79 SMN1; SMN2 (0.42) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL17471145 0.79 HRH3 (0.57) HRH3KCNH2CYP2D6
SCHEMBL19652102 0.78 SIGMAR1 (0.36) HRH3CYP2D6DPP4DPP8DPP9
SCHEMBL19652167 0.76 ACHE (0.44) HTR4SIGMAR1
SCHEMBL16083492 0.76 ALDH1A1 (0.41) HRH3KCNH2CYP2D6ALDH1A1

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 HRH3 131/4885KCNH2 3447/4885CYP2D6 3694/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 HRH3 131/4885KCNH2 3447/4885CYP2D6 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.