SCHEMBL1258616

SCHEMBL1258616

[O]CCCCOC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
NAAA Q02083 2/20 0.39
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HPGD P15428 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL8614028 0.98 NPC1 (0.45) NPC1NAAACA1CA2HPGD
SCHEMBL6142605 0.98 NPC1 (0.45) NPC1NAAACA1CA2HPGD
SCHEMBL3752915 0.98 NPC1 (0.43) NPC1NAAA
SCHEMBL1260397 0.93 NPC1 (0.48) NPC1NAAACA1CA2HPGD
SCHEMBL3345124 0.93 NPC1 (0.48) NPC1NAAACA1CA2HPGD
SCHEMBL28333594 0.91 NPC1 (0.38) NPC1NAAA
SCHEMBL3747088 0.91 NPC1 (0.45) NPC1NAAACA1CA2
SCHEMBL3343212 0.88
SCHEMBL9011558 0.88 NPC1 (0.56) NPC1NAAACA1CA2HPGD
SCHEMBL9011682 0.85 NPC1 (0.54) NPC1NAAACA1CA2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194525-B1 N-CARBAMOYL-AZOLES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1988-08-10 EP claimed
EP-0194525-A2 N-Carbamoyl-azoles and fungicides containing them BASF Aktiengesellschaft (DE) 1986-09-17 EP claimed
EP-2464623-B1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2020-11-04 EP disclosed
US-8779198-B2 Ring opening of lactones and lactams NOVARTIS AG (CH) 2014-07-15 US disclosed
EP-1689702-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-30 EP disclosed
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2012-06-28 US disclosed
EP-2464623-A1 THE RING OPENING OF LACTONES AND LACTAMS Novartis AG (CH) 2012-06-20 EP disclosed
US-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-7919529-B2 δ-amino-γ-hydroxy-ω-aryl-alkanoic acid amides NOVARTIS AG (CH) 2011-04-05 US disclosed
WO-2011019789-A1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2011-02-17 WO disclosed
US-20100331287-A1 6-(Aminoalkyl)Indazoles VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
CN-1117960-A Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides CIBA GEIGY AG (CH) 1996-03-06 CN disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
EP-0194525-B1 N-CARBAMOYL-AZOLES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1988-08-10 EP disclosed
EP-0194525-A2 N-Carbamoyl-azoles and fungicides containing them BASF Aktiengesellschaft (DE) 1986-09-17 EP 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 (2 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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 NPC1 1443/4885NAAA 1904/4885CA1 4586/4885
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS LSS, APH1A, OTUB1 NPC1 3152/4885NAAA 535/4885CA1 1473/4885

“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.