SCHEMBL17618563

SCHEMBL17618563

O=C(Nc1ccccn1)N1c2nc(-c3cccc(N4CCC(C(F)(F)F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.37
▸ MAP3K12 Q12852 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ KARS1 Q15046 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ SCN9A Q15858 4/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ LPL P06858 1/20 0.34
▸ LIPC P11150 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HTR2A P28223 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
SCHEMBL17618553 0.93 VCP (0.43) VCPTRPV1PHGDHCNR2NTRK1
SCHEMBL17618555 0.93 VCP (0.43) VCPTRPV1PHGDHCNR2NTRK1
SCHEMBL17618567 0.92 KARS1 (0.41) VCPMAP3K12KARS1SCN5ACLK2
SCHEMBL17618574 0.90 VCP (0.37) VCPTRPV1SCN5ACLK2LRRK2
SCHEMBL17618445 0.90 VCP (0.44) VCPKARS1CNR2NTRK1HTR1A
SCHEMBL19361174 0.89 KARS1 (0.38) TRPV1MAP3K12KARS1SCN5ACLK2
SCHEMBL17618905 0.87 PHGDH (0.41) TRPV1PHGDHKARS1SCN9ASCN5A
SCHEMBL16238412 0.87 PHGDH (0.41) TRPV1PHGDHKARS1SCN9ASCN5A
SCHEMBL19365292 0.87 VCP (0.40) VCPTRPV1MAP3K12PHGDHKARS1
SCHEMBL17618540 0.86 VCP (0.40) VCPTRPV1MAP3K12CNR2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 VCP 1889/4885TRPV1 4249/4885MAP3K12 1873/4885

“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.

Send feedback