SCHEMBL3785019

SCHEMBL3785019

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCCCC2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.37
F10 P00742 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CTSS P25774 2/20 0.34
P2RX7 Q99572 1/20 0.34
SYK P43405 4/20 0.34
VNN1 O95497 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
RBP4 P02753 1/20 0.33
NPY5R Q15761 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
CCRL2 O00421 1/20 0.32

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
SCHEMBL3058447 0.98 IRAK4 (0.36) ENPP2F10IRAK4CTSSP2RX7
SCHEMBL3064728 0.89 TRPV1 (0.35) TRPV1RBP4TYRO3MERTK
SCHEMBL3791014 0.89 L3MBTL3 (0.39) TRPV1
SCHEMBL1584564 0.88 P2RX7 (0.47) IRAK4P2RX7TRPV1RBP4TYRO3
SCHEMBL1583038 0.88 P2RX7 (0.49) IRAK4P2RX7TRPV1TYRO3MERTK
SCHEMBL3063495 0.87 TRPV1 (0.33) TRPV1TYRO3MERTK
SCHEMBL3064213 0.87 TRPV1 (0.33) TRPV1TYRO3MERTK
SCHEMBL13256101 0.87 TRPV1 (0.33) TRPV1TYRO3MERTK
SCHEMBL3064208 0.87 TRPV1 (0.33) TRPV1TYRO3MERTK
SCHEMBL3063490 0.87 TRPV1 (0.33) TRPV1TYRO3MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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 (1 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 ENPP2 4065/4885F10 3351/4885IRAK4 3475/4885

“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.