SCHEMBL17624589

SCHEMBL17624589

O=C(Nc1cccnc1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTR2A P28223 6/20 0.39
▸ HTR2C P28335 6/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL19670296 0.97 TRPV1 (0.41) TRPV1ALDH1A1MAPTHTR2AHTR2C
SCHEMBL16754312 0.97 TRPV1 (0.41) TRPV1ALDH1A1MAPTHTR2AHTR2C
SCHEMBL16754618 0.97 TRPV1 (0.41) TRPV1ALDH1A1MAPTHTR2AHTR2C
SCHEMBL19365684 0.97 TRPV1 (0.41) TRPV1ALDH1A1MAPTHTR2AHTR2C
SCHEMBL16238392 0.92 TRPV1 (0.42) TRPV1MAPTHTR2AHTR2CNAMPT
SCHEMBL16776498 0.89 ALDH1A1 (0.41) TRPV1ALDH1A1MAPTHTR2AHTR2C
SCHEMBL20733297 0.88 MAP4K4 (0.42) MAPTMAP4K4NAMPTTRPV3CYP1A2
SCHEMBL17624461 0.88 TRPV3 (0.40) MAP4K4NAMPTTRPV3SCN10AEIF2AK4
SCHEMBL17624239 0.87 MAP4K4 (0.41) TRPV1MAPTMAP4K4NAMPTTRPV3
SCHEMBL19365686 0.87 MAP4K4 (0.41) TRPV1MAPTMAP4K4NAMPTTRPV3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
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-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 (3 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 4249/4885ALDH1A1 1910/4885MAPT 303/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885ALDH1A1 1726/4885MAPT 267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885ALDH1A1 1726/4885MAPT 267/4885

“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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