SCHEMBL2089260

SCHEMBL2089260

CN(C)C1(C(=O)O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
FFAR3 O14843 1/20 0.36
AKR1C1 Q04828 1/20 0.35
LMNA P02545 2/20 0.35
OPRM1 P35372 3/20 0.34
OPRL1 P41146 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
FABP4 P15090 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 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
SCHEMBL2090673 0.97 FFAR3 (0.38) CYP2C19FFAR3AKR1C1LMNAOPRM1
Hydrochloric Acid SCHEMBL6601346 0.95 FFAR3 (0.36) CYP2C19FFAR3AKR1C1LMNAOPRM1
SCHEMBL22533638 0.92 FFAR3 (0.38) CYP2C19FFAR3AKR1C1OPRM1OPRL1
SCHEMBL643056 0.87
SCHEMBL23832502 0.83 CYP2C19 (0.37) CYP2C19FFAR3AKR1C1LMNAKMT2A
SCHEMBL12861247 0.80 LMNA (0.35) LMNAOPRM1OPRL1KMT2AMEN1
SCHEMBL2875860 0.78 LMNA (0.36) CYP2C19LMNAOPRM1KMT2AMEN1
SCHEMBL3667122 0.78 MEN1 (0.34) CYP2C19FFAR3KMT2AMEN1POLB
SCHEMBL3949935 0.78 CYP2C19 (0.33) CYP2C19FFAR3KMT2AMEN1POLB
SCHEMBL20599700 0.76 OPRM1 (0.40) CYP2C19FFAR3OPRM1OPRL1FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184814-A1 Ester Derivatives of Losartan, Methods for Their Preparation, and Uses Thereof WANG JIANMIN 2010-07-22 US claimed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US claimed
EP-3724192-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS Richter Gedeon Nyrt. (HU) 2020-10-21 EP disclosed
WO-2019116324-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2019-06-20 WO disclosed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20100184814-A1 Ester Derivatives of Losartan, Methods for Their Preparation, and Uses Thereof WANG JIANMIN 2010-07-22 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 US disclosed
EP-0920549-B1 MANUFACTURING METHOD AND NONWOVEN WEB BKI HOLDING CORP (US) 2003-03-19 EP disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
EP-0920549-A1 MANUFACTURING METHOD AND NONWOVEN WEB UPM-Kymmene Oy (FI) 1999-06-09 EP disclosed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 WO disclosed
WO-1998007914-A1 MANUFACTURING METHOD AND NONWOVEN WEB UPM-KYMMENE OY (FI) 1998-02-26 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 (4 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-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO CYP2C19 1236/4885FFAR3 720/4885AKR1C1 94/4885
US-20100184814-A1 Ester Derivatives of Losartan, Methods for Their Preparation, and Uses Thereof REN, ACE, AGTR1 CYP2C19 47/4885FFAR3 148/4885AKR1C1 65/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO CYP2C19 1236/4885FFAR3 720/4885AKR1C1 94/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO CYP2C19 1236/4885FFAR3 720/4885AKR1C1 94/4885

“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.