SCHEMBL19652200

SCHEMBL19652200

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
PARP1 P09874 1/20 0.33
MMP9 P14780 3/20 0.33
MMP13 P45452 3/20 0.33
MMP1 P03956 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HCN4 Q9Y3Q4 4/20 0.32
PRKCA P17252 2/20 0.32
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
HCN1 O60741 3/20 0.31
MMP8 P22894 3/20 0.31
MMP14 P50281 3/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
CACNA1H O95180 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
SCHEMBL19658399 0.82 OPRM1 (0.42) SIGMAR1PARP1MMP9MMP13MMP1
SCHEMBL19652196 0.82 OPRM1 (0.39) SIGMAR1PREPFAPCACNA1H
SCHEMBL20462570 0.81 OPRM1 (0.38) PRKCAPREPFAPCACNA1H
SCHEMBL22049957 0.79 TSHR (0.42) PARP1MMP9MMP13MMP1CYP2D6
SCHEMBL20462571 0.78 OPRM1 (0.33) SIGMAR1PRKCAPREPFAP
SCHEMBL20147365 0.73 CYP2D6 (0.30) CYP2D6
SCHEMBL9963241 0.73 CHRM5 (0.47) MMP9MMP13MMP1
SCHEMBL21451626 0.72 CYP2D6 (0.36) CYP2D6
SCHEMBL22169788 0.71 HTR4 (0.45) CYP2D6KCNH2HRH3PREPFAP
SCHEMBL20418012 0.71 ALDH1A1 (0.34) SIGMAR1MMP9MMP13HCN4SMYD3

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 1530/4885PARP1 124/4885MMP9 2342/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 SIGMAR1 1530/4885PARP1 124/4885MMP9 2342/4885

“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.