SCHEMBL16776006

SCHEMBL16776006

Cn1ncc2cc(NC(=O)N3CCCNc4ccc(-c5cccc(N6CCCC6)c5)nc43)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ RPS6KA2 Q15349 2/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ MAOB P27338 2/20 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
SCHEMBL16775984 0.88 CNR1 (0.38) CNR1NPC1ALDH1A1MAPTHPGD
SCHEMBL16775998 0.86 RPS6KA3 (0.42) CNR1ABL1BCRKITJAK2
SCHEMBL16775974 0.86 FYN (0.41) ABL1NPC1ALDH1A1MAPTHPGD
SCHEMBL16776000 0.81 PRKCI (0.39) CNR1ABL1BCRKITJAK2
SCHEMBL16776007 0.80 RPS6KA2 (0.42) CNR1ABL1BCRNPC1RAB9A
SCHEMBL16775995 0.80 BRAF (0.41) CNR1ABL1BCRNPC1RAB9A
SCHEMBL16776005 0.79 KARS1 (0.50) ABL1BCRALOX12KITJAK2
SCHEMBL16776060 0.79 FGFR4 (0.43) CNR1JAK2CNR2RPS6KA2PRKCI
SCHEMBL16776109 0.78 KARS1 (0.38) CNR1ABL1BCRALDH1A1MAPT
SCHEMBL16776049 0.78 FGFR4 (0.42) CNR1ABL1KITJAK2PRKCI

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR1 2946/4885ABL1 4089/4885BCR 3239/4885

“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