SCHEMBL3709596

SCHEMBL3709596

O=C(NN1CCC1)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
CNR2 P34972 10/20 0.35
CNR1 P21554 9/20 0.35
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
BRAF P15056 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31

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
Hydrochloric Acid SCHEMBL3687763 0.99 ERN1 (0.34) ERN1CNR2CNR1PKMRXFP1
SCHEMBL1583247 0.83 ERN1 (0.40) ERN1PKMRXFP1
SCHEMBL3709595 0.83 HDAC4 (0.35) ERN1PKMRXFP1TYRO3MERTK
SCHEMBL1583278 0.82 ERN1 (0.40) ERN1PKMRXFP1
SCHEMBL3693692 0.82 ERN1 (0.40) ERN1PKMRXFP1
Hydrochloric Acid SCHEMBL3687760 0.82 HDAC4 (0.34) ERN1PKMRXFP1TYRO3MERTK
SCHEMBL3794236 0.82 ITGB2 (0.36) ERN1TYRO3MERTK
SCHEMBL3793277 0.82 NOTUM (0.41) ERN1PKMRXFP1TYRO3MERTK
SCHEMBL3784084 0.81 GPR119 (0.36) ERN1TYRO3MERTK
SCHEMBL3699956 0.81 SMN1; SMN2 (0.39) ERN1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 ERN1 237/4885CNR2 635/4885CNR1 524/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ERN1 237/4885CNR2 635/4885CNR1 524/4885

“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.