SCHEMBL4243152

SCHEMBL4243152

O=C(c1c(Cl)cccc1Cl)N1CC[C@@H](Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.47
SPR P35270 1/20 0.46
OPRK1 P41145 1/20 0.43
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CDK7 P50613 4/20 0.41
CCNH P51946 4/20 0.41
MNAT1 P51948 4/20 0.41
CCNK O75909 4/20 0.41
CDK12 Q9NYV4 4/20 0.41
NPC1 O15118 1/20 0.41
HCRTR2 O43614 3/20 0.41
HCRTR1 O43613 2/20 0.41
FBP1 P09467 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
FASN P49327 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4243155 1.00 SSTR5 (0.47) SSTR5SPROPRK1CCNA2CDK2
SCHEMBL4239077 0.94 SSTR5 (0.46) SSTR5SPROPRK1CCNA2CDK2
SCHEMBL4239081 0.94 SSTR5 (0.46) SSTR5SPROPRK1CCNA2CDK2
SCHEMBL8224371 0.94 HCRTR2 (0.47) SSTR5SPROPRK1CCNA2CDK2
SCHEMBL4242950 0.91 SSTR5 (0.42) SSTR5SPROPRK1CCNA2CDK2
SCHEMBL4242943 0.91 SSTR5 (0.42) SSTR5SPROPRK1CCNA2CDK2
SCHEMBL8224301 0.90 HCRTR2 (0.47) SSTR5SPROPRK1CCNA2CDK2
SCHEMBL8225977 0.89 SSTR5 (0.46) SSTR5SPROPRK1HCRTR2HCRTR1
SCHEMBL3660605 0.88 HCRTR1 (0.50) SSTR5HCRTR2HCRTR1
SCHEMBL3656379 0.88 HCRTR1 (0.50) SSTR5HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US claimed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US claimed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A SSTR5 248/4885SPR 1435/4885OPRK1 73/4885

“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.