SCHEMBL1779310

SCHEMBL1779310

O=C(CC1CCCCN1C(=O)O)NNC(=O)c1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
HCRTR1 O43613 4/20 0.44
HCRTR2 O43614 4/20 0.44
KAT6A Q92794 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ACKR3 P25106 1/20 0.38
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
DPP4 P27487 2/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 1/20 0.36
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35

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
SCHEMBL1776235 0.91 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1MAPTDPP4
SCHEMBL6645932 0.91 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1MAPTDPP4
SCHEMBL1777384 0.83 ALDH1A1 (0.42) HCRTR1HCRTR2ALDH1A1ACKR3DPP4
SCHEMBL6641310 0.83 ALDH1A1 (0.42) HCRTR1HCRTR2ALDH1A1ACKR3DPP4
SCHEMBL1777409 0.79 HCRTR1 (0.49) HCRTR1HCRTR2MAPT
SCHEMBL6646483 0.77 RHOC (0.39) HCRTR1HCRTR2ALDH1A1MAPTDPP4
SCHEMBL1778081 0.77 RHOC (0.39) HCRTR1HCRTR2ALDH1A1MAPTDPP4
SCHEMBL1779433 0.76 L3MBTL1 (0.54) HPGDHCRTR1HCRTR2ALDH1A1
SCHEMBL1779434 0.76 L3MBTL1 (0.54) HPGDHCRTR1HCRTR2ALDH1A1
SCHEMBL1776914 0.75 P2RX7 (0.43) HCRTR1HCRTR2ACKR3MAPTLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 US disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 EP disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 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 (2 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR HPGD 1073/4885HCRTR1 2/4885HCRTR2 1/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR HPGD 1534/4885HCRTR1 2/4885HCRTR2 1/4885

“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.