SCHEMBL17624502

SCHEMBL17624502

CC(C)(C)OC(=O)N1CCCc2ccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.42
▸ NPY2R P49146 1/20 0.40
▸ CREBBP Q92793 11/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL19670651 0.88 TRPV1 (0.40) TRPV1NPY2RCREBBPCYP1A2HTR2A
SCHEMBL17624496 0.87 RAF1 (0.41) TRPV1NPY2RMEN1ALDH1A1KMT2A
SCHEMBL17624661 0.87 JAK2 (0.44) TRPV1NPY2RMEN1ALDH1A1KMT2A
SCHEMBL17618778 0.86 MAPT (0.41) TRPV1NPY2RMEN1ALDH1A1KMT2A
SCHEMBL19706109 0.85 TRPV1 (0.40) TRPV1CREBBPCYP1A2HTR2AHTR2C
SCHEMBL16754707 0.83 MAPT (0.45) NPY2RMEN1ALDH1A1KMT2AMAPT
SCHEMBL16250008 0.83 MAPT (0.45) NPY2RMEN1ALDH1A1KMT2AMAPT
SCHEMBL17618783 0.83 MEN1 (0.47) TRPV1MEN1ALDH1A1KMT2AMAPT
SCHEMBL17618888 0.82 NAMPT (0.42) NPY2RKMT2ACA2CA9
SCHEMBL16785656 0.81 CREBBP (0.42) TRPV1CREBBPCYP1A2HTR2AHTR2C

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 4249/4885NPY2R 2272/4885CREBBP 419/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885NPY2R 2186/4885CREBBP 528/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885NPY2R 2186/4885CREBBP 528/4885

“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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