SCHEMBL2090673

SCHEMBL2090673

CN(C)C1(C(=O)O)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
AKR1C1 Q04828 1/20 0.37
OPRM1 P35372 5/20 0.35
OPRL1 P41146 5/20 0.35
CYP2C19 P33261 1/20 0.34
FABP4 P15090 1/20 0.34
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PLAU P00749 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRK1 P41145 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
SCHEMBL2089260 0.97 CYP2C19 (0.38) FFAR3AKR1C1OPRM1OPRL1CYP2C19
Hydrochloric Acid SCHEMBL6601346 0.97 FFAR3 (0.36) FFAR3AKR1C1OPRM1OPRL1CYP2C19
SCHEMBL22533638 0.95 FFAR3 (0.38) FFAR3AKR1C1OPRM1OPRL1CYP2C19
SCHEMBL643056 0.89
SCHEMBL23832502 0.80 CYP2C19 (0.37) FFAR3AKR1C1CYP2C19LMNAMEN1
SCHEMBL17144836 0.78 OPRM1 (0.39) FFAR3OPRM1OPRL1FABP4KMT2A
SCHEMBL20599700 0.78 OPRM1 (0.40) FFAR3OPRM1OPRL1CYP2C19FABP4
SCHEMBL12861247 0.77 LMNA (0.35) OPRM1OPRL1LMNAMEN1POLB
SCHEMBL2832684 0.77 LMNA (0.33) LMNAMEN1POLBKMT2A
SCHEMBL1583413 0.77 FFAR3 (0.32) FFAR3CYP2C19

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 57 patents — showing the first 20. 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
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2018-12-20 US disclosed
EP-3411371-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION Pfizer Inc (US) 2018-12-12 EP disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed
US-9527846-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
US-9527846-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
US-9527846-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP 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
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO disclosed
EP-0991658-B1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO KG (DE) 2005-12-28 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
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 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 (5 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 FFAR3 720/4885AKR1C1 94/4885OPRM1 3123/4885
US-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION NGLY1, TEK, TEKT1 FFAR3 2962/4885AKR1C1 4214/4885OPRM1 4012/4885
US-20100184814-A1 Ester Derivatives of Losartan, Methods for Their Preparation, and Uses Thereof REN, ACE, AGTR1 FFAR3 148/4885AKR1C1 65/4885OPRM1 1136/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 FFAR3 2962/4885AKR1C1 4214/4885OPRM1 4012/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO FFAR3 720/4885AKR1C1 94/4885OPRM1 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.