SCHEMBL467466

SCHEMBL467466

[CH]1OCC2CCCCCCC12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7661885 0.97
SCHEMBL25393582 0.92
SCHEMBL17027551 0.92
SCHEMBL446927 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16466504 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL467003 0.70
SCHEMBL19694730 0.63
SCHEMBL1276932 0.61
SCHEMBL16877510 0.60 ALDH1A1 (0.47) ALDH1A1HSD17B10
SCHEMBL3506522 0.60 ALDH1A1 (0.47) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179330-A1 CANNABINOID DERIVATIVES AND METHODS FOR THEIR PREPARATION HEANEY JOHN (US) 2020-06-11 US disclosed
US-20150150819-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS MERCK SHARP & DOHME CORP. 2015-06-04 US disclosed
US-20150126554-A1 METHODS OF PREVENTING AND TREATING GASTROINTESTINAL DYSFUNCTION ADOLOR CORPORATION 2015-05-07 US disclosed
US-8946262-B2 Methods of preventing and treating gastrointestinal dysfunction ADOLOR CORPORATION (US) 2015-02-03 US disclosed
US-8895560-B2 Opioid antagonists ADOLOR CORPORATION (US) 2014-11-25 US disclosed
US-20140303211-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-10-09 US disclosed
US-20140186951-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2014-07-03 US disclosed
US-20140057947-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2014-02-27 US disclosed
US-8598207-B2 Compositions containing opioid antagonists ADOLOR CORPORATION (US) 2013-12-03 US disclosed
US-20130317035-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2013-11-28 US disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 US disclosed
US-6852713-B2 Lactam derivatives and methods of their use ADOLOR CORPORATION (US) 2005-02-08 US disclosed
WO-2005004796-A2 SULFONYLAMINO PHENYLACETAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-01-20 WO disclosed
WO-2004112704-A2 SUBSTITUTED PIPERIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2004-12-29 WO disclosed
US-20040254218-A1 Substituted piperidine compounds and methods of their use CUBIST PHARMACEUTICALS, INC. 2004-12-16 US disclosed
US-20040254156-A1 Sulfonylamino phenylacetamide derivatives and methods of their use CALIXA THERAPEUTICS, INC. 2004-12-16 US disclosed
WO-2004093796-A2 LACTAM DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2004-11-04 WO disclosed
US-20040209857-A1 Lactam derivatives and methods of their use ADOLOR CORPORATION 2004-10-21 US disclosed
WO-2004082623-A2 SUBSTITUTED PIPERIDINE COMPOUNDS ADOLOR CORPORATION (US) 2004-09-30 WO disclosed
US-20040186135-A1 Substituted piperidine compounds CUBIST PHARMACEUTICALS, INC. 2004-09-23 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 (12 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-20140057947-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRL1, OPRM1 ALDH1A1 1750/4885HSD17B10 2727/4885
US-20130317035-A1 NOVEL OPIOID ANTAGONISTS OPRK1, OPRM1, OPRL1 ALDH1A1 761/4885HSD17B10 3123/4885
US-20040254218-A1 Substituted piperidine compounds and methods of their use OPRM1, OPRK1, OPRD1 ALDH1A1 438/4885HSD17B10 3649/4885
US-20040186135-A1 Substituted piperidine compounds OPRK1, OPRD1, OPRM1 ALDH1A1 431/4885HSD17B10 2852/4885
US-20040254156-A1 Sulfonylamino phenylacetamide derivatives and methods of their use CYP2E1, CYP2D6, CYP3A43 ALDH1A1 94/4885HSD17B10 426/4885
US-20150126554-A1 METHODS OF PREVENTING AND TREATING GASTROINTESTINAL DYSFUNCTION VIP, FABP2, SI ALDH1A1 444/4885HSD17B10 1842/4885
US-20140303211-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRL1, OPRM1 ALDH1A1 1750/4885HSD17B10 2727/4885
US-20150150819-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRM1, OPRD1 ALDH1A1 2312/4885HSD17B10 2794/4885
US-20040209857-A1 Lactam derivatives and methods of their use MRPL21, SI, PEPD ALDH1A1 618/4885HSD17B10 371/4885
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 ALDH1A1 1541/4885HSD17B10 1206/4885
US-20200179330-A1 CANNABINOID DERIVATIVES AND METHODS FOR THEIR PREPARATION CNR2, CNR1, GPR119 ALDH1A1 3417/4885HSD17B10 3909/4885
US-20140186951-A1 NOVEL OPIOID ANTAGONISTS OPRK1, OPRM1, OPRL1 ALDH1A1 761/4885HSD17B10 3123/4885

“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.