SCHEMBL16775845

SCHEMBL16775845

Cc1cccnc1NC(=O)N1CCCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KMO O15229 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ CTSA P10619 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ FGFR4 P22455 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ SLC5A1 P13866 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL16775821 0.98 TRPV1 (0.40) TRPV1MEN1KMT2AKMOCA2
SCHEMBL16776473 0.86 FGFR4 (0.42) TRPV1MEN1KMT2AKMOCA2
SCHEMBL16775909 0.85 RAB9A (0.44) TRPV1KMOADORA2AGAAMAPT
SCHEMBL16775840 0.85 PIKFYVE (0.37) TRPV1KMOCA2CA9ADORA2A
SCHEMBL16775837 0.85 PHGDH (0.46) TRPV1KMOADORA2A
SCHEMBL16776476 0.84 CA2 (0.43) MEN1KMT2AKMOCA2CA9
SCHEMBL16775832 0.84 FAAH (0.40) MEN1KMT2AKMOCA2CA9
SCHEMBL16785538 0.84 HTR2A (0.49) MEN1KMT2ACA2CA9MAPT
SCHEMBL16775892 0.83 FGFR4 (0.42) TRPV1MEN1KMT2AKMOCA2
SCHEMBL16775876 0.83 CTSA (0.36) KMOCA2CA9ADORA2ACTSA

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 TRPV1 3670/4885MEN1 3676/4885KMT2A 1438/4885

“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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