SCHEMBL17618782

SCHEMBL17618782

O=C(Nc1cccnn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.39
▸ GABRA1 P14867 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ KMO O15229 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL17618844 0.91 GABRA1 (0.40) FAAHGABRA1ADRA2CHTR2AHTR2C
SCHEMBL16238547 0.89 PHGDH (0.40) HTR2AHTR2CSCN9AKMOKMT2A
SCHEMBL20632458 0.89 PHGDH (0.40) HTR2AHTR2CSCN9AKMOKMT2A
SCHEMBL19361167 0.89 PHGDH (0.40) HTR2AHTR2CSCN9AKMOKMT2A
SCHEMBL16238388 0.89 PHGDH (0.40) HTR2AHTR2CSCN9AKMOKMT2A
SCHEMBL17618829 0.88 FAAH (0.40) FAAHKMOCNR1CNR2SIRT2
Trifluoroacetic Acid SCHEMBL16237584 0.87 KMO (0.38) FAAHSCN9AKMOKMT2AADORA2A
SCHEMBL17618802 0.86 ALOX15 (0.44) FAAHSCN9AKMOADORA2ACYP3A4
SCHEMBL17618818 0.86 MPL (0.43) FAAHSCN9AKMOADORA2ACA2
SCHEMBL19365642 0.86 FAAH (0.39) FAAHGABRA1ADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 1092/4885GABRA1 3906/4885ADRA2C 4752/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885GABRA1 3990/4885ADRA2C 4718/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885GABRA1 3990/4885ADRA2C 4718/4885

“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.

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