SCHEMBL1048931

SCHEMBL1048931

CCC(O)CC1CNCCO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.40
HTR2A P28223 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR2B P41595 2/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA2C P18825 1/20 0.37
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
HRH1 P35367 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR3A P46098 1/20 0.30

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
SCHEMBL28847999 0.89 SLC6A2 (0.37) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL28444287 0.84 SLC6A2 (0.35) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL4682678 0.82 ADRB2 (0.36) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL7294176 0.82 HTR2A (0.34) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL27987174 0.81 SLC6A2 (0.39) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL8059750 0.81 SLC6A2 (0.39) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL22081089 0.80 SLC6A2 (0.41) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL11802556 0.79 HTR2A (0.40) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL9057558 0.77 SLC6A2 (0.44) SLC6A4HTR2ASLC6A2SLC6A3HTR2B
SCHEMBL9973633 0.77 SLC6A2 (0.44) SLC6A4HTR2ASLC6A2SLC6A3HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-8058307-B2 Alcanoic acid amides substituted by saturated O-heterocycles NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20110144197-A1 ALCANOIC ACID AMIDES SUBSTITUTED BY SATURATED O-HETEROCYCLES SPEEDEL EXPERIMENTA AG (CH) 2011-06-16 US disclosed
US-7919529-B2 δ-amino-γ-hydroxy-ω-aryl-alkanoic acid amides NOVARTIS AG (CH) 2011-04-05 US disclosed
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20100331287-A1 6-(Aminoalkyl)Indazoles VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO disclosed
WO-2005051895-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-06-09 WO disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 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
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-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 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 (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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 SLC6A4 681/4885HTR2A 1966/4885SLC6A2 281/4885
US-20110144197-A1 ALCANOIC ACID AMIDES SUBSTITUTED BY SATURATED O-HETEROCYCLES REN, AGTR1, ACE SLC6A4 2264/4885HTR2A 2271/4885SLC6A2 919/4885
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS LSS, APH1A, OTUB1 SLC6A4 4881/4885HTR2A 4820/4885SLC6A2 4885/4885

“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.