SCHEMBL19652137

SCHEMBL19652137

CN(C(=O)C(C)(C)C)C1CCN(c2nccc(C#N)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.48
PANK3 Q9H999 1/20 0.45
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.40
ACACB O00763 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CTSK P43235 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL19658646 0.87 PANK3 (0.50) CTSSPANK3CHRM2CHRM4ACACB
SCHEMBL19652111 0.84 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL19652130 0.82 ADRB1 (0.51) CHRM4ACACBHCRTR1HCRTR2KDM4E
SCHEMBL19652198 0.80 GPR119 (0.59) CTSSGPR119AAK1RIPK1
SCHEMBL17753767 0.79 CTSS (0.46) CTSSPANK3CHRM2CHRM4ACACB
SCHEMBL19652135 0.79 AAK1 (0.39) CHRM2CHRM4GPR119AAK1
SCHEMBL19652195 0.79 PANK3 (0.48) CTSSPANK3CHRM2CHRM4KDM4E
SCHEMBL25255919 0.76 GPR119 (0.47) CTSSPANK3CHRM2CHRM4GPR119
SCHEMBL30547513 0.76 GPR119 (0.47) CTSSPANK3CHRM2CHRM4GPR119
SCHEMBL25301669 0.76 KDM4E (0.60) CTSSPANK3CHRM2CHRM4KDM4E

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 CTSS 2525/4885PANK3 1590/4885CHRM2 1058/4885

“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.