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SCHEMBL3689509

SCHEMBL3689509

CCNC(=O)C1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ACKR3 P25106 1/20 0.36
▸ EPHX2 P34913 7/20 0.36
▸ TYRO3 Q06418 2/20 0.35
▸ MERTK Q12866 2/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ RHOC P08134 2/20 0.34
▸ RHOA P61586 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL3688700 0.89 HTR1A (0.45) KMT2APOLB
SCHEMBL3693532 0.88 HSD11B1 (0.38) TYRO3MERTKHSD11B1TRPV1
SCHEMBL3682078 0.87 TRPV1 (0.35) TYRO3MERTKHSD11B1TRPV1
SCHEMBL3694458 0.87 TSHR (0.43) RXFP1KMT2APOLB
SCHEMBL3688380 0.87 TRPV1 (0.43) KMT2ARHOCRHOAPOLBTRPV1
SCHEMBL3693907 0.86 PDK2 (0.37) TYRO3MERTKHSD11B1CYP2C9RHOC
SCHEMBL3689589 0.86 KDM5B (0.34) EPHX2TYRO3MERTK
SCHEMBL7496017 0.85 KDM5B (0.41) EPHX2
SCHEMBL3688062 0.85 EPHX2 (0.37) KMT2AACKR3EPHX2TYRO3MERTK
SCHEMBL3699901 0.85 KDM5B (0.41) EPHX2

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 8 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 — — EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 — — 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 (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 RXFP1 4676/4885KMT2A 3145/4885ACKR3 2983/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RXFP1 4676/4885KMT2A 3145/4885ACKR3 2983/4885

“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.