SCHEMBL17778498

SCHEMBL17778498

O=C(Nc1ccccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.41
▸ TRPV1 Q8NER1 4/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ LPL P06858 1/20 0.38
▸ LIPC P11150 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL17778423 0.95 KDM4E (0.42) PHGDHTRPV1TRPM8SLC6A7LMNA
SCHEMBL17769511 0.95 KDM4E (0.42) PHGDHTRPV1TRPM8SLC6A7LMNA
SCHEMBL16238412 0.88 PHGDH (0.41) PHGDHTRPV1TRPM8LPLLIPC
SCHEMBL17618905 0.88 PHGDH (0.41) PHGDHTRPV1TRPM8LPLLIPC
SCHEMBL20550479 0.86 ALDH1A1 (0.42) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL19689741 0.86 PHGDH (0.40) PHGDHTRPV1TRPM8LPLLIPC
SCHEMBL17778330 0.86 PHGDH (0.40) PHGDHTRPV1TRPM8LPLLIPC
SCHEMBL20550603 0.84 ALDH1A1 (0.47) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL17778466 0.84 DPP4 (0.41) TRPV1KDM4EALDH1A1MEN1KMT2A
SCHEMBL17778371 0.84 ALDH1A1 (0.45) LMNAKDM4EALDH1A1MEN1KMT2A

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 PHGDH 1154/4885TRPV1 3814/4885TRPM8 2268/4885

“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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