SCHEMBL16775837

SCHEMBL16775837

Cc1cc(C)nc(NC(=O)N2CCCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 17/20 0.46
▸ ADORA2A P29274 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.39
▸ KMO O15229 1/20 0.39

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
SCHEMBL16775820 0.97 PHGDH (0.47) PHGDHADORA2AKMO
SCHEMBL16776473 0.87 FGFR4 (0.42) PHGDHADORA2ATRPV1KMO
SCHEMBL16775832 0.86 FAAH (0.40) ADORA2AKMO
SCHEMBL16775834 0.85 MPL (0.44) ADORA2AKMO
SCHEMBL16775833 0.85 ALOX15 (0.46) KMO
SCHEMBL16775835 0.85 NPC1 (0.39) PHGDHADORA2AKMO
SCHEMBL17655327 0.85 PHGDH (0.49) PHGDHADORA2A
SCHEMBL16776476 0.85 CA2 (0.43) PHGDHKMO
SCHEMBL16775845 0.85 TRPV1 (0.39) ADORA2ATRPV1KMO
SCHEMBL16775847 0.85 FGFR4 (0.43) TRPV1KMO

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 PHGDH 1138/4885ADORA2A 2325/4885TRPV1 3670/4885

“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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