SCHEMBL17618839

SCHEMBL17618839

O=C(Nc1ccccn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.38
▸ TNF P01375 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ ABL1 P00519 3/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ PHGDH O43175 2/20 0.33
▸ XPO1 O14980 2/20 0.33
▸ AR P10275 1/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ BRAF P15056 1/20 0.32

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
SCHEMBL17618840 0.91 ALOX15 (0.37) ABL1DYRK1ATRPV3XPO1CHRNA7
SCHEMBL17618842 0.91 ABL1 (0.35) ABL1DYRK1ATRPV3ARGRIN2B
SCHEMBL19361167 0.90 PHGDH (0.40) TRPV1TRPM8PHGDH
SCHEMBL16238547 0.90 PHGDH (0.40) TRPV1TRPM8PHGDH
SCHEMBL20632458 0.90 PHGDH (0.40) TRPV1TRPM8PHGDH
SCHEMBL16238388 0.90 PHGDH (0.40) TRPV1TRPM8PHGDH
SCHEMBL17618844 0.90 GABRA1 (0.40) ABL1TRPV3
Trifluoroacetic Acid SCHEMBL16237584 0.88 KMO (0.38) TRPV1TRPM8PHGDH
SCHEMBL17618846 0.86 HTR2C (0.44) TRPV1TRPM8ABL1
SCHEMBL17618566 0.86 TRPV1 (0.40) TRPV1TNFTRPM8ABL1DYRK1A

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 TRPV1 4249/4885TNF 3525/4885TRPM8 2616/4885

“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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