SCHEMBL17624593

SCHEMBL17624593

O=C(Nc1ccccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.40
▸ PHGDH O43175 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ MAP3K12 Q12852 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ PDGFRB P09619 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
SCHEMBL17618904 0.85 KDM4E (0.42) TRPV1PHGDHTRPM8KMOLMNA
SCHEMBL17769364 0.85 KDM4E (0.42) TRPV1PHGDHTRPM8KMOLMNA
SCHEMBL19365675 0.85 KDM4E (0.42) TRPV1PHGDHTRPM8KMOLMNA
SCHEMBL19365464 0.85 TRPV1 (0.39) TRPV1PHGDHTRPM8HTTMEN1
SCHEMBL19365465 0.85 TRPV1 (0.39) TRPV1PHGDHTRPM8HTTMEN1
SCHEMBL16775953 0.85 TRPV1 (0.44) TRPV1PHGDHTRPM8KMOLMNA
SCHEMBL17624236 0.84 FAAH (0.39) —
SCHEMBL17618905 0.84 PHGDH (0.41) TRPV1PHGDHTRPM8KMOLMNA
SCHEMBL16238412 0.84 PHGDH (0.41) TRPV1PHGDHTRPM8KMOLMNA
SCHEMBL17624594 0.82 TRPV1 (0.39) TRPV1LMNACYP1A2HTR2AHTR2C

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-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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 4249/4885PHGDH 1394/4885TRPM8 2616/4885

“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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