SCHEMBL19652194

SCHEMBL19652194

CC(C)C(=O)N(C1CCC1)C1CCN(C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 7/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.33
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
BRD4 O60885 1/20 0.33
TAF1 P21675 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL19658397 0.84 TSHR (0.44) TSHRMEN1GAAHTTKMT2A
SCHEMBL10247857 0.82 TSHR (0.43) TSHRGAAS1PR1S1PR3
SCHEMBL10248089 0.81 TSHR (0.46) TSHRGAAS1PR1S1PR3
SCHEMBL23798138 0.80 BRD4 (0.41) TSHRMEN1GAAHTTKMT2A
SCHEMBL19658845 0.79 TP53 (0.39) TSHRMEN1GAAHTTKMT2A
SCHEMBL19658744 0.78 MEN1 (0.40) TSHRMEN1GAAHTTKMT2A
SCHEMBL19652116 0.78 KDM4E (0.36) HTTKMT2AALDH1A1
SCHEMBL19702056 0.75 ALDH1A1 (0.41) HTTALDH1A1TP53
SCHEMBL22456350 0.74 MEN1 (0.38) TSHRMEN1GAAHTTKMT2A
SCHEMBL23502083 0.74 HRH3 (0.46) HRH3KCNH2TP53DPP4PREP

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 TSHR 1181/4885MEN1 1364/4885GAA 1877/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 TSHR 1181/4885MEN1 1364/4885GAA 1877/4885

“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.