SCHEMBL4590434

SCHEMBL4590434

O=C(O)N1CCCC[C@H]1Cc1ncc(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DAGLA Q9Y4D2 3/20 0.42
ABHD6 Q9BV23 1/20 0.42
PRCP P42785 2/20 0.41
DAGLB Q8NCG7 1/20 0.40
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL1777666 1.00 RAB9A (0.47) RAB9ASMN1; SMN2DAGLAABHD6PRCP
SCHEMBL1776470 0.97 RAB9A (0.46) RAB9ASMN1; SMN2PRCPHDAC1PDE10A
SCHEMBL1777093 0.90 OPRM1 (0.46) DAGLAABHD6PRCPHDAC1
SCHEMBL1778710 0.83 HCRTR1 (0.41) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1778712 0.83 HCRTR1 (0.41) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1777216 0.82 DAGLA (0.41) SMN1; SMN2DAGLAABHD6DAGLBALDH1A1
SCHEMBL1777217 0.82 DAGLA (0.41) SMN1; SMN2DAGLAABHD6DAGLBALDH1A1
SCHEMBL1776732 0.82 HCRTR1 (0.43) RAB9ASMN1; SMN2PRCP
SCHEMBL1777694 0.81 CNR1 (0.45) SMN1; SMN2PRCPHDAC1ALDH1A1
SCHEMBL1778706 0.81 HCRTR1 (0.42) RAB9ASMN1; SMN2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR RAB9A 1985/4885SMN1; SMN2 3363/4885DAGLA 4065/4885

“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.