SCHEMBL19658397

SCHEMBL19658397

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 7/20 0.37
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.34
BRD4 O60885 1/20 0.34
TAF1 P21675 1/20 0.34
CECR2 Q9BXF3 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 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
SCHEMBL19658744 0.94 MEN1 (0.40) TSHRHTTMEN1GAAKMT2A
SCHEMBL19652194 0.84 TSHR (0.43) TSHRHTTMEN1GAAKMT2A
SCHEMBL13212810 0.79 DPP4 (0.43) TSHRHTTMEN1GAAKMT2A
SCHEMBL19658842 0.79 PIK3CD (0.42) TSHRHTTMEN1GAAKMT2A
SCHEMBL18469927 0.79 L3MBTL1 (0.38) HTTALDH1A1SPHK1
SCHEMBL15261351 0.77 SPHK1 (0.45) TSHRMEN1GAAKMT2ASPHK1
Hydrochloric Acid SCHEMBL28819699 0.75 SPHK1 (0.44) TSHRMEN1GAAKMT2ASPHK1
SCHEMBL1712105 0.75 SPHK1 (0.47) TSHRMEN1GAAKMT2AALDH1A1
SCHEMBL22456350 0.75 MEN1 (0.38) TSHRHTTMEN1GAAKMT2A
SCHEMBL19652096 0.75 HRH3 (0.41) TSHRHTTMEN1GAAKMT2A

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 TSHR 1181/4885HTT 832/4885MEN1 1364/4885

“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.