SCHEMBL1819794

SCHEMBL1819794

COC(=O)[C@@H](c1ccccc1)N1CCCCC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.97
ALDH1A1 P00352 3/20 0.97
KMT2A Q03164 2/20 0.97
MEN1 O00255 1/20 0.97
OPRM1 P35372 1/20 0.66
OPRK1 P41145 1/20 0.66
OPRL1 P41146 1/20 0.66
GAA P10253 1/20 0.66
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
CHRM3 P20309 1/20 0.61
TSHR P16473 1/20 0.57
NPY2R P49146 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KCNA5 P22460 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL2789416 1.00 LMNA (0.97) LMNAALDH1A1KMT2AMEN1OPRM1
Hydrochloric Acid SCHEMBL5606289 0.98 LMNA (1.00) LMNAALDH1A1KMT2AMEN1OPRM1
SCHEMBL7657250 0.98 LMNA (0.94) LMNAALDH1A1KMT2AMEN1OPRM1
SCHEMBL1427926 0.91 LMNA (0.81) LMNAALDH1A1KMT2AMEN1OPRM1
SCHEMBL15063358 0.86 ALDH1A1 (0.73) LMNAALDH1A1KMT2AMEN1OPRM1
SCHEMBL6663882 0.86 KMT2A (0.73) LMNAALDH1A1KMT2AMEN1OPRM1
SCHEMBL10862008 0.85 KMT2A (0.71) LMNAALDH1A1KMT2AMEN1OPRM1
SCHEMBL20481400 0.84 LMNA (0.71) LMNAALDH1A1KMT2AMEN1OPRM1
SCHEMBL6640308 0.84 LMNA (0.71) LMNAALDH1A1KMT2AMEN1OPRM1
SCHEMBL15063303 0.84 ALDH1A1 (0.71) LMNAALDH1A1KMT2AMEN1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394813-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2013-03-12 US disclosed
EP-2319540-A1 Sustained release pharmaceutical compounds to prevent abuse of controlled substances Shire LLC (US) 2011-05-11 EP disclosed
EP-2316469-A1 Delivery system and methods for protecting and administering dextroamphetamine Shire LLC (US) 2011-05-04 EP disclosed
EP-2316468-A1 Delivery system and methods for protecting and administering dextroamphetamine Shire LLC (US) 2011-05-04 EP disclosed
EP-2266590-A2 Active agent delivery sytems and methods for protecting and administering active agents Shire LLC (US) 2010-12-29 EP disclosed
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-12-10 US disclosed
US-7622441-B2 Sustained release pharmaceutical compounds to prevent abuse of controlled substances SHIRE LLC (US) 2009-11-24 US disclosed
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-10-08 US disclosed
US-7427600-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2008-09-23 US disclosed
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage NEW RIVER PHARMACEUTICALS INC. (US) 2007-10-04 US disclosed
US-7247730-B2 Process for the preparation of dexmethylphenidate hydrochloride ISP INVESTMENTS INC. (US) 2007-07-24 US disclosed
EP-1490090-A4 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PHARMACEUTICALS INC (US) 2006-09-20 EP disclosed
US-7060708-B2 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. (US) 2006-06-13 US disclosed
US-20050080012-A1 Sustained release pharmaceutical compounds to prevent abuse of controlled substances NEW RIVER PHARMACEUTICALS INC. (US) 2005-04-14 US disclosed
EP-1490090-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS New River Pharmaceuticals Inc. (US) 2004-12-29 EP disclosed
US-20040180928-A1 Process for the preparation of dexmethylphenidate hydrochloride ISP INVESTMENTS INC. 2004-09-16 US disclosed
US-20040063628-A1 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. 2004-04-01 US disclosed
WO-2003079972-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PARMACEUTICALS INC. (US) 2003-10-02 WO 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 (6 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-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP LMNA 760/4885ALDH1A1 2535/4885KMT2A 4227/4885
US-20050080012-A1 Sustained release pharmaceutical compounds to prevent abuse of controlled substances CES2, CPA3, ACHE LMNA 3143/4885ALDH1A1 182/4885KMT2A 3353/4885
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP LMNA 760/4885ALDH1A1 2535/4885KMT2A 4227/4885
US-20040063628-A1 Active agent delivery systems and methods for protecting and administering active agents HDGF, CTSA, IAPP LMNA 760/4885ALDH1A1 2535/4885KMT2A 4227/4885
US-20040180928-A1 Process for the preparation of dexmethylphenidate hydrochloride HTR1A, HTR6, COMT LMNA 2272/4885ALDH1A1 1137/4885KMT2A 1426/4885
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage VIP, BST2, FCGR3B LMNA 3203/4885ALDH1A1 2406/4885KMT2A 2299/4885

“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.