SCHEMBL16776020

SCHEMBL16776020

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)CCCCN3)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ GRM5 P41594 2/20 0.37
▸ PRKAA2 P54646 1/20 0.36
▸ ELOVL1 Q9BW60 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ PRKDC P78527 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ USP30 Q70CQ3 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
SCHEMBL16776097 0.89 HTR2C (0.45) CYP11B2CNR1GRM5ATRHTR2A
SCHEMBL16776185 0.88 HTR2C (0.40) CYP11B2HDAC2ATRHTR2AHTR2C
SCHEMBL16785651 0.87 CA2 (0.39) GSK3BHTR2AHTR2C
SCHEMBL16776011 0.87 CA9 (0.38) CNR1HTR2AHTR2CALDH1A1
SCHEMBL16776009 0.87 HTR2C (0.45) CNR1GRM5ATRHTR2AHTR2C
SCHEMBL16776000 0.86 PRKCI (0.39) CNR1
SCHEMBL16775916 0.86 FAAH (0.38) CNR1GRM5HTR2AHTR2CALDH1A1
SCHEMBL16776021 0.85 FGFR4 (0.42) HDAC2USP30
SCHEMBL16775826 0.85 CA2 (0.40) GSK3BHTR2AHTR2C
SCHEMBL16776096 0.84 USP30 (0.39) CYP11B2ALDH1A1CYP3A4LRRK2USP30

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 CYP11B2 1166/4885HDAC2 50/4885CNR1 2946/4885

“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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