SCHEMBL17618637

SCHEMBL17618637

O=C(Nc1cccnn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.40
▸ GABRA1 P14867 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.35
▸ PIM3 Q86V86 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
▸ HCRTR1 O43613 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ IDH2 P48735 1/20 0.33
▸ BRAF P15056 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
SCHEMBL19365520 0.91 FAAH (0.39) FAAHGABRA1ADRA2CHTR2AHTR2C
SCHEMBL17618362 0.91 FAAH (0.39) FAAHGABRA1ADRA2CHTR2AHTR2C
SCHEMBL17624231 0.91 FAAH (0.39) FAAHGABRA1ADRA2CHTR2AHTR2C
SCHEMBL16238017 0.90 TRPV1 (0.39) PIM2PIM3ABL1BRAF
SCHEMBL16238662 0.90 TRPV1 (0.39) PIM2PIM3ABL1BRAF
SCHEMBL17618723 0.88 FAAH (0.39) FAAHPIM2PIM3HCRTR1
SCHEMBL16238179 0.88 PIM3 (0.44) FAAHPIM2PIM3CYP3A4CYP2D6
SCHEMBL17618622 0.88 HTR2C (0.45) FAAHHTR2AHTR2CHTR2BPIM2
SCHEMBL17618669 0.88 POLB (0.40) PIM2PIM3CYP3A4CYP2D6CNR2
SCHEMBL17618619 0.87 PIM2 (0.37) PIM2PIM3CNR2ABL1BRAF

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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