SCHEMBL13699050

SCHEMBL13699050

CC(C)C/C=C/c1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.41
HTR2A P28223 3/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
CPB2 Q96IY4 1/20 0.35
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 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
SCHEMBL2477542 0.88 HTR2A (0.56) MASP2HTR2ACHRNB2CHRNA4NOS3
SCHEMBL13357307 0.79 NOS3 (0.43) MASP2NOS3NOS2GABRPGABRD
SCHEMBL4731796 0.79 NOS3 (0.43) MASP2NOS3NOS2GABRPGABRD
SCHEMBL21315987 0.75 NOS3 (0.39) MASP2NOS3NOS2CPB2GABRP
SCHEMBL12678596 0.75 NOS2 (0.46) NOS3NOS2GABRPGABRDGABRA1
SCHEMBL12749109 0.75 NOS2 (0.46) NOS3NOS2GABRPGABRDGABRA1
SCHEMBL7899522 0.72 NOS3 (0.43) NOS3NOS2GABRPGABRDGABRA1
SCHEMBL621387 0.72 CHRNB2 (0.58) MASP2HTR2ACHRNB2CHRNA4NOS3
SCHEMBL14448365 0.72 NOS3 (0.43) NOS3NOS2CPB2GABRPGABRD
SCHEMBL7514670 0.71 CHRNB2 (0.71) HTR2ACHRNB2CHRNA4KDM4ENPC1

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 MASP2 2445/4885HTR2A 3602/4885CHRNB2 4881/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 MASP2 3594/4885HTR2A 4055/4885CHRNB2 4787/4885

“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.