SCHEMBL16775916

SCHEMBL16775916

O=C(Nc1cncc(F)c1)N1CCCNc2ccc(-c3cccc(Cl)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ RPS6KA3 P51812 4/20 0.36
▸ GAA P10253 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ RPS6KA2 Q15349 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 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
SCHEMBL16776011 0.91 CA9 (0.38) FAAHCNR1HTR2AHTR2CRPS6KA3
SCHEMBL16775910 0.89 TSHR (0.48) TSHRHTR2AHTR2CRPS6KA3TP53
SCHEMBL16776000 0.88 PRKCI (0.39) CNR1CNR2RPS6KA3RPS6KA2
SCHEMBL16775826 0.88 CA2 (0.40) HTR2AHTR2CMEN1KMT2AFYN
SCHEMBL16776185 0.87 HTR2C (0.40) TSHRHTR2AHTR2CRPS6KA3TP53
SCHEMBL16776333 0.87 HTR2C (0.36) TSHRHTR2AHTR2CRPS6KA3TP53
SCHEMBL16776020 0.86 CYP11B2 (0.38) CNR1HTR2AHTR2CALDH1A1GRM5
SCHEMBL16785651 0.86 CA2 (0.39) HTR2AHTR2CMEN1KMT2AFYN
SCHEMBL16775918 0.85 SIRT2 (0.39) FAAHCNR1CNR2TSHRHTR2A
SCHEMBL16775936 0.85 FGFR4 (0.43) CNR1CNR2ALDH1A1MEN1KMT2A

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 FAAH 977/4885CNR1 2946/4885CNR2 2514/4885

“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