SCHEMBL4247680

SCHEMBL4247680

O=C(c1c(F)cccc1N1CCCC1)N1CCC(Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.48
HCRTR2 O43614 6/20 0.48
SSTR5 P35346 1/20 0.39
SPR P35270 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 3/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
PKM P14618 1/20 0.38
OPRK1 P41145 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4247674 1.00 HCRTR1 (0.48) HCRTR1HCRTR2SSTR5SPRNPC1
SCHEMBL8224301 0.92 HCRTR2 (0.47) HCRTR1HCRTR2SSTR5SPRRAB9A
SCHEMBL3718628 0.90 HCRTR2 (0.40) HCRTR1HCRTR2SSTR5
SCHEMBL8224371 0.89 HCRTR2 (0.47) HCRTR1HCRTR2SSTR5SPRNPC1
SCHEMBL8218276 0.87 HCRTR2 (0.44) HCRTR1HCRTR2SSTR5SPRNPC1
SCHEMBL3661341 0.86 HCRTR2 (0.43) HCRTR1HCRTR2SSTR5SPRRAB9A
SCHEMBL4250853 0.86 HCRTR2 (0.43) HCRTR1HCRTR2SSTR5SPRRAB9A
SCHEMBL4243152 0.84 SSTR5 (0.47) HCRTR1HCRTR2SSTR5SPRNPC1
SCHEMBL4243155 0.84 SSTR5 (0.47) HCRTR1HCRTR2SSTR5SPRNPC1
SCHEMBL4239077 0.80 SSTR5 (0.46) HCRTR1HCRTR2SSTR5SPRNPC1

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-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-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 HCRTR1 1/4885HCRTR2 2/4885SSTR5 248/4885

“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.