SCHEMBL19626682

SCHEMBL19626682

CC(C)NCC(C)(c1ccccc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH1 P35367 1/20 0.37
CYP3A4 P08684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN1 Q05586 6/20 0.35
GRIN2A Q12879 6/20 0.35
GRIN2D O15399 5/20 0.35
GRIN2C Q14957 5/20 0.35
GRIN2B Q13224 4/20 0.35
OPRM1 P35372 2/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL17830453 0.79 TAAR1 (0.54) KCNN4ALDH1A1KDM4ETDP1HRH1
SCHEMBL12000666 0.79 TDP1 (0.43) KCNN4ALDH1A1KDM4ETDP1CYP2D6
SCHEMBL19629886 0.79 KCNN4 (0.46) KCNN4ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL2898487 0.75 CYP2D6 (0.41) KCNN4ALDH1A1KDM4ETDP1CYP2D6
SCHEMBL22458610 0.73 SIGMAR1 (0.40) KCNN4ALDH1A1KDM4ETDP1CYP2D6
SCHEMBL31479981 0.73 MEN1 (0.51) KCNN4ALDH1A1KDM4ETDP1CYP3A4
SCHEMBL3755365 0.71 HDAC3 (0.41) KCNN4CYP2C19KMT2AOPRM1DRD3
SCHEMBL11668769 0.71 KCNN4 (0.52) KCNN4ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL28111885 0.70 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1CYP2D6CYP2C19
SCHEMBL31646704 0.70 TAAR1 (0.58) KCNN4CYP2D6CYP2C19CYP3A4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358437-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-07-23 US disclosed
US-10316023-B2 2019-06-11 US disclosed
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 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 (3 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-10316023-B2 PKD1, NHERF1, PCSK6 KCNN4 1385/4885ALDH1A1 1008/4885KDM4E 1884/4885
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF PKD1, NHERF1, HDAC10 KCNN4 1907/4885ALDH1A1 782/4885KDM4E 1688/4885
US-10358437-B2 Therapeutic compounds and uses thereof PKD1, NHERF1, HDAC10 KCNN4 1907/4885ALDH1A1 782/4885KDM4E 1688/4885

“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.