SCHEMBL1464086

SCHEMBL1464086

O=C(c1cnoc1-c1ccccc1)N1CC[C@H](CNc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.47
HCRTR2 O43614 8/20 0.47
USP30 Q70CQ3 1/20 0.37
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
MGLL Q99685 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
S1PR3 Q99500 1/20 0.36
MAPT P10636 1/20 0.36
ITGA4 P13612 1/20 0.36

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
SCHEMBL1464089 1.00 HCRTR1 (0.47) HCRTR1HCRTR2USP30CTSLCTSS
SCHEMBL1463374 1.00 HCRTR1 (0.47) HCRTR1HCRTR2USP30CTSLCTSS
SCHEMBL1559724 0.91 NPSR1 (0.48) HCRTR1HCRTR2
SCHEMBL4242298 0.87 HCRTR1 (0.49) HCRTR1HCRTR2MGLLRAB9AS1PR3
SCHEMBL3657023 0.87 HCRTR1 (0.49) HCRTR1HCRTR2MGLLRAB9AS1PR3
SCHEMBL1462275 0.85 HCRTR1 (0.47) HCRTR1HCRTR2USP30RAB9A
SCHEMBL1462273 0.85 HCRTR1 (0.47) HCRTR1HCRTR2USP30RAB9A
SCHEMBL1462270 0.85 HCRTR1 (0.47) HCRTR1HCRTR2USP30RAB9A
SCHEMBL1462258 0.82 HCRTR1 (0.49) HCRTR1HCRTR2USP30RAB9AITGA4
SCHEMBL1462256 0.82 HCRTR1 (0.49) HCRTR1HCRTR2USP30RAB9AITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303871-B1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-05-09 EP claimed
JP-2011529096-A 2011-12-01 JP claimed
US-7923470-B2 Benzooxazoles as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
EP-2303871-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-04-06 EP claimed
WO-2010012620-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO claimed
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 US claimed
US-8748430-B2 Pyrrolidin-3yl-methylamine quinoxaline derivatives Hoffmann-La Roche Inc (US) 2014-06-10 US disclosed
US-20120232084-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-13 US disclosed
US-8207220-B2 Substituted benzothiazoles as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2012-06-26 US disclosed
EP-2303871-B1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-7923470-B2 Benzooxazoles as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS KNUST HENNER 2011-03-24 US disclosed
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 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 (3 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-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885USP30 4253/4885
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885USP30 4253/4885
US-20120232084-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885USP30 4253/4885

“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.