SCHEMBL17778464

SCHEMBL17778464

O=C(Nc1cnc(OC[C@H](O)CO)cn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RAF1 P04049 4/20 0.33
▸ CPT2 P23786 2/20 0.33
▸ CPT1A P50416 2/20 0.33
▸ CPT1B Q92523 1/20 0.33
▸ IDH2 P48735 1/20 0.33
▸ IRAK1 P51617 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CAMK1D Q8IU85 3/20 0.32
▸ MAP3K7 O43318 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
SCHEMBL17769785 1.00 TRPV1 (0.35) TRPV1KIF11KCNJ6KCNJ5KCNJ3
SCHEMBL20550333 1.00 TRPV1 (0.35) TRPV1KIF11KCNJ6KCNJ5KCNJ3
SCHEMBL20550594 0.96 KDM4E (0.34) TRPV1KDM4ERAF1CPT2CPT1A
SCHEMBL20550501 0.96 KDM4E (0.34) TRPV1KDM4ERAF1CPT2CPT1A
SCHEMBL17769474 0.96 KDM4E (0.34) TRPV1KDM4ERAF1CPT2CPT1A
SCHEMBL17778539 0.96 KDM4E (0.34) TRPV1KDM4ERAF1CPT2CPT1A
SCHEMBL17769729 0.93 KIF11 (0.36) TRPV1KIF11KCNJ6KCNJ5KCNJ3
SCHEMBL17769566 0.93 KIF11 (0.36) TRPV1KIF11KCNJ6KCNJ5KCNJ3
SCHEMBL17769731 0.93 KIF11 (0.36) TRPV1KIF11KCNJ6KCNJ5KCNJ3
SCHEMBL20550638 0.92 RAF1 (0.35) TRPV1KIF11KCNJ6KCNJ5KCNJ3

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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — US disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3814/4885KIF11 2817/4885KCNJ6 4410/4885

“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.

Send feedback