SCHEMBL1778704

SCHEMBL1778704

Cn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2ncc(-c3ccc(F)cc3)[nH]2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.42
HCRTR2 O43614 11/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.38

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
SCHEMBL1778706 1.00 HCRTR1 (0.42) HCRTR1HCRTR2RAB9ASMN1; SMN2HDAC1
SCHEMBL1776678 0.97 HCRTR1 (0.43) HCRTR1HCRTR2RAB9ASMN1; SMN2HDAC1
SCHEMBL1776681 0.97 HCRTR1 (0.43) HCRTR1HCRTR2RAB9ASMN1; SMN2HDAC1
SCHEMBL1777293 0.91 HCRTR1 (0.42) HCRTR1HCRTR2HDAC1
SCHEMBL1777296 0.91 HCRTR1 (0.42) HCRTR1HCRTR2HDAC1
SCHEMBL1778496 0.90 ABHD6 (0.43) HCRTR1HCRTR2
SCHEMBL1778875 0.89 KCNH2 (0.42) HCRTR1HCRTR2HDAC1
SCHEMBL1778712 0.84 HCRTR1 (0.41) HCRTR1HCRTR2RAB9ASMN1; SMN2
SCHEMBL1778710 0.84 HCRTR1 (0.41) HCRTR1HCRTR2RAB9ASMN1; SMN2
SCHEMBL1256734 0.82 HCRTR1 (0.41) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP claimed
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
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885RAB9A 1592/4885

“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.