SCHEMBL19083795

SCHEMBL19083795

CC(=O)N1CCC[C@H]1c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
MAPT P10636 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
PEPD P12955 1/20 0.34
XPNPEP1 Q9NQW7 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP11B2 P19099 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL17457535 0.89 PEPD (0.33) PEPDXPNPEP1KCNH2
SCHEMBL3852873 0.88 RIPK1 (0.33) PEPDXPNPEP1
SCHEMBL5314180 0.88 RIPK1 (0.33) PEPDXPNPEP1
SCHEMBL19075663 0.85 RIPK1 (0.51) PEPDXPNPEP1
SCHEMBL1357636 0.83 ALDH1A1 (0.49) MAPT
SCHEMBL1357634 0.83 ALDH1A1 (0.49) MAPT
SCHEMBL8885712 0.82 RIPK1 (0.36)
SCHEMBL5485878 0.79 ALDH1A1 (0.46) MAPT
SCHEMBL14394829 0.79 FKBP1A (0.44)
SCHEMBL14407808 0.79 FKBP1A (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 TP53 1577/4885MAPT 4404/4885BAZ2A 2939/4885

“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.