SCHEMBL16775945

SCHEMBL16775945

O=C(Nc1ccncc1F)N1CCCNc2ccc(-c3cccc(N4CCCC4)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 2/20 0.39
▸ TRPV3 Q8NET8 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ KARS1 Q15046 1/20 0.37
▸ CAMK2D Q13557 1/20 0.35
▸ TRPV1 Q8NER1 9/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ RPS6KA3 P51812 2/20 0.34
▸ CNR1 P21554 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
SCHEMBL16775881 0.90 TRPV1 (0.43) TRPV1JAK2ROCK2RPS6KA3
SCHEMBL16776157 0.88 ROCK2 (0.36) ABL1BCRTRPV1ROCK2
SCHEMBL16775830 0.88 CNR2 (0.37) TRPV1JAK2ROCK2RPS6KA3CNR1
SCHEMBL16775822 0.87 TRPV1 (0.37) TRPV1ROCK2
SCHEMBL16775848 0.86 CPT2 (0.37) TRPV1ROCK2
SCHEMBL16776000 0.85 PRKCI (0.39) PRKCITRPV3ABL1BCRKARS1
SCHEMBL16776005 0.85 KARS1 (0.50) PRKCIABL1BCRKARS1CAMK2D
SCHEMBL16776049 0.84 FGFR4 (0.42) PRKCITRPV3ABL1KARS1CAMK2D
SCHEMBL16775997 0.83 RPS6KA2 (0.41) PRKCITRPV3ABL1BCRKARS1
SCHEMBL16775869 0.82 TRPV1 (0.42) ABL1BCRTRPV1JAK2RPS6KA3

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PRKCI 2015/4885TRPV3 4093/4885ABL1 4089/4885

“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