SCHEMBL13699067

SCHEMBL13699067

CC(C)C/C=C/c1ccc(-c2ncccn2)c(N)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.33
GRM4 Q14833 1/20 0.32
DHFR P00374 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR2A P28223 3/20 0.30

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
SCHEMBL14293575 0.84 KDM1A (0.35) KDM1AGRM4DHFR
SCHEMBL10130942 0.72 ALDH1A1 (0.39)
SCHEMBL10130908 0.71 GRM4 (0.50) GRM4HTR2A
SCHEMBL13699045 0.70 NOS3 (0.40) CHRNB2CHRNA4HTR2A
SCHEMBL13637232 0.67 NOS3 (0.42)
SCHEMBL10161000 0.66 NOS2 (0.38) DHFR
SCHEMBL14208119 0.64 NOS2 (0.41) DHFR
SCHEMBL13723564 0.64 HDAC1 (0.39) CHRNB2CHRNA4
SCHEMBL12132425 0.63 ALDH1A1 (0.46) CHRNB2CHRNA4
SCHEMBL12132427 0.63 NPC1 (0.56)

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-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 KDM1A 2305/4885GRM4 4071/4885DHFR 236/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 KDM1A 2035/4885GRM4 4572/4885DHFR 312/4885

“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.