SCHEMBL17809643

SCHEMBL17809643

COc1cc(-c2ccc3c(c2)CCCN3C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
WDR5 P61964 1/20 0.43
FAAH O00519 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
KCNH2 Q12809 1/20 0.40
CREBBP Q92793 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL17809552 0.84 USP30 (0.47) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17806359 0.84 NOTUM (0.41) CHRNA7FAAHKDM4ECYP11B1CYP11B2
SCHEMBL17809574 0.80 ALDH1A1 (0.51) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17809648 0.80 KDM5A (0.40) CHRNA7ALDH1A1GAAHPGDKDM4E
SCHEMBL17809742 0.79 CREBBP (0.42) CREBBP
SCHEMBL25796997 0.79 NR4A2 (0.44) CHRNA7ALDH1A1MEN1MAPTHPGD
SCHEMBL30042627 0.79 CYP11B1 (0.47) CHRNA7ALDH1A1MEN1MAPTHPGD
SCHEMBL31442483 0.79 NR4A2 (0.44) CHRNA7ALDH1A1MEN1MAPTHPGD
SCHEMBL21859178 0.76 TMEM97 (0.54) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17809803 0.74 MAPT (0.43) ALDH1A1MEN1GAAMAPTHPGD

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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 WO disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CHRNA7 2134/4885ALDH1A1 1727/4885MEN1 1426/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CHRNA7 2134/4885ALDH1A1 1727/4885MEN1 1426/4885

“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.