SCHEMBL16776000

SCHEMBL16776000

O=C(Nc1cncc(F)c1)N1CCCNc2ccc(-c3cccc(N4CCCC4)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 2/20 0.39
▸ TRPV3 Q8NET8 1/20 0.38
▸ CNR1 P21554 6/20 0.38
▸ KIT P10721 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ PLK4 O00444 1/20 0.35
▸ CAMK2D Q13557 1/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ KISS1R Q969F8 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ GRK6 P43250 1/20 0.34
▸ TRPV1 Q8NER1 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
SCHEMBL16776051 0.91 PRKCI (0.36) PRKCIKITPLK4RPS6KA3RPS6KA2
SCHEMBL16776011 0.89 CA9 (0.38) CNR1RPS6KA3RPS6KA2
SCHEMBL16775916 0.88 FAAH (0.38) CNR1RPS6KA3RPS6KA2CNR2
SCHEMBL16776079 0.88 SLC5A1 (0.37) PRKCIABL1KARS1TRPV1
SCHEMBL16776185 0.87 HTR2C (0.40) ABL1BCRRPS6KA3
SCHEMBL16775826 0.87 CA2 (0.40) KITJAK2
SCHEMBL16776197 0.87 PRKD3 (0.40) CNR1KARS1
SCHEMBL16785651 0.86 CA2 (0.39) KIT
SCHEMBL16776020 0.86 CYP11B2 (0.38) CNR1
SCHEMBL16776333 0.85 HTR2C (0.36) RPS6KA3RPS6KA2

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 4093/4885CNR1 2946/4885

“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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