SCHEMBL1462934

SCHEMBL1462934

O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](CNc2nc3ccc(F)cc3s2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.56
CLK1 P49759 2/20 0.53
NPY5R Q15761 1/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46
NAAA Q02083 8/20 0.46
HCRTR1 O43613 7/20 0.44
HCRTR2 O43614 7/20 0.44

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
SCHEMBL1462937 1.00 USP30 (0.56) USP30CLK1NPY5RCYP2C9CYP2C19
SCHEMBL1462939 1.00 USP30 (0.56) USP30CLK1NPY5RCYP2C9CYP2C19
SCHEMBL1560305 0.94 USP30 (0.50) USP30CLK1NPY5RCYP2C9CYP2C19
SCHEMBL1463220 0.89 USP30 (0.54) USP30CLK1NPY5RHCRTR1HCRTR2
SCHEMBL1463219 0.89 USP30 (0.54) USP30CLK1NPY5RHCRTR1HCRTR2
SCHEMBL1463221 0.89 USP30 (0.54) USP30CLK1NPY5RHCRTR1HCRTR2
SCHEMBL1462278 0.88 USP30 (0.54) USP30CLK1NPY5RNAAAHCRTR1
SCHEMBL1462281 0.88 USP30 (0.54) USP30CLK1NPY5RNAAAHCRTR1
SCHEMBL1462279 0.88 USP30 (0.54) USP30CLK1NPY5RNAAAHCRTR1
SCHEMBL1464084 0.86 USP30 (0.52) USP30CLK1NPY5RNAAAHCRTR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207220-B2 Substituted benzothiazoles as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2012-06-26 US claimed
EP-2303871-B1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-05-09 EP claimed
US-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS KNUST HENNER 2011-03-24 US 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-8748430-B2 Pyrrolidin-3yl-methylamine quinoxaline derivatives Hoffmann-La Roche Inc (US) 2014-06-10 US disclosed
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-20120232084-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-13 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
US-8207220-B2 Substituted benzothiazoles as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2012-06-26 US disclosed
US-7923470-B2 Benzooxazoles as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US 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-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS KNUST HENNER 2011-03-24 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
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 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 USP30 4253/4885CLK1 4628/4885NPY5R 11/4885
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R USP30 4253/4885CLK1 4628/4885NPY5R 11/4885
US-20120232084-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R USP30 4253/4885CLK1 4628/4885NPY5R 11/4885

“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.