SCHEMBL17618436

SCHEMBL17618436

O=C(Nc1ccc(F)cn1)N1c2nc(-c3ccccc3C(F)(F)F)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.41
▸ PIM2 Q9P1W9 2/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PRKCA P17252 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FPR1 P21462 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ LPL P06858 1/20 0.35
▸ LIPC P11150 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ P2RX7 Q99572 3/20 0.34
▸ MPL P40238 1/20 0.34
▸ DEGS1 O15121 1/20 0.34

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
SCHEMBL17618443 0.89 TRPV1 (0.49) TRPV1PIM2PIM1PIM3PRKCA
SCHEMBL17618569 0.86 P2RX3 (0.37) TRPV1LPLLIPCLIPGSCD
SCHEMBL17624603 0.85 TRPV1 (0.47) TRPV1PIM2PIM1PIM3MPL
SCHEMBL17618380 0.84 LPL (0.41) TRPV1L3MBTL1HPGDLPLLIPC
SCHEMBL17618500 0.84 LPL (0.41) TRPV1L3MBTL1HPGDLPLLIPC
SCHEMBL17618461 0.83 PIM2 (0.48) TRPV1PIM2PIM1PIM3PRKCA
SCHEMBL17618391 0.82 SCD (0.41) WNT3ASCDDEGS1
SCHEMBL17618454 0.82 CYP2C19 (0.38) LPLLIPCLIPGSCDDEGS1
SCHEMBL17618550 0.82 LPL (0.39) TRPV1LPLLIPCLIPGSCD
SCHEMBL17618448 0.82 FAAH (0.40) TRPV1PIM2PIM1PIM3PRKCA

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 9 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-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 (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 4249/4885PIM2 3491/4885PIM1 3195/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885PIM2 3242/4885PIM1 2799/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885PIM2 3242/4885PIM1 2799/4885

“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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