SCHEMBL17806342

SCHEMBL17806342

CC(C)N1CCCc2cc(-c3cccnc3)c(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.43
CYP11B1 P15538 10/20 0.43
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.40
FGFR4 P22455 1/20 0.40
XDH P47989 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 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
SCHEMBL17806284 0.86 KDM4E (0.37) CYP11B2CYP11B1XDH
SCHEMBL17806283 0.86 USP30 (0.34) CYP11B2CYP11B1
SCHEMBL17809672 0.85 CYP11B2 (0.45) CYP11B2CYP11B1CYP3A4CYP19A1FGFR4
SCHEMBL17806288 0.84 GPR119 (0.40) CYP11B2CYP11B1
SCHEMBL17806323 0.83 CYP11B2 (0.38) CYP11B2CYP11B1
SCHEMBL17806318 0.82 CYP11B2 (0.39) CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL17806385 0.82 CYP11B2 (0.37) CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL17806374 0.82 CYP11B2 (0.39) CYP11B2CYP11B1
SCHEMBL17806375 0.80 EED (0.34) CYP11B2CYP11B1
SCHEMBL17806346 0.80 WNT3A (0.39) CYP11B2CYP11B1CYP3A4

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-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
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 CYP11B2 1605/4885CYP11B1 1468/4885CYP3A4 3799/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CYP11B2 1605/4885CYP11B1 1468/4885CYP3A4 3799/4885

“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.