SCHEMBL2011768

SCHEMBL2011768

CCCN(CCC)CCc1cccc([N+](=O)[O-])c1CC(=O)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
HTR1A P08908 1/20 0.39
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CACNA1C Q13936 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13623334 0.86 HTR1A (0.43) DRD2HTR1AACHEBCHEKMT2A
SCHEMBL13618631 0.86 HTR1A (0.43) DRD2HTR1AACHEBCHEKMT2A
SCHEMBL2011929 0.86 HTR1A (0.44) DRD2HTR1AACHEBCHEKMT2A
Hydrochloric Acid SCHEMBL2012929 0.85 HTR1A (0.43) DRD2HTR1AACHEBCHEKMT2A
SCHEMBL1716245 0.82 CES2 (0.46) ACHECES2CES1CACNA1CMAPT
SCHEMBL13930332 0.78 L3MBTL1 (0.48) ACHECES2CES1CACNA1CMAPT
SCHEMBL31016530 0.78 L3MBTL1 (0.48) ACHECES2CES1CACNA1CMAPT
SCHEMBL3841214 0.77 TDP1 (0.51) DRD2HTR1AKMT2AKDM4ESIGMAR1
SCHEMBL13930337 0.76 ALDH1A1 (0.51) DRD2HTR1AACHEBCHEMAPT
SCHEMBL16585208 0.76 LMNA (0.44) ACHECES2CES1CACNA1CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513055-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF Pharmathen S.A. (GR) 2012-10-24 EP claimed
WO-2011072704-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PHARMATHEN S.A. (GR) 2011-06-23 WO claimed
CN-116262706-A Preparation process of ropinirole intermediate 浙江华海药业股份有限公司 2023-06-16 CN disclosed
CN-116262706-A Preparation process of ropinirole intermediate 浙江华海药业股份有限公司 2023-06-16 CN disclosed
EP-2513055-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF Pharmathen S.A. (GR) 2012-10-24 EP disclosed
US-20120253051-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-10-04 US disclosed
US-20120253051-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-10-04 US disclosed
WO-2011072704-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PHARMATHEN S.A. (GR) 2011-06-23 WO disclosed
US-7619095-B2 Process for the preparation of indolone derivative ALEMBIC LIMITED (IN) 2009-11-17 US disclosed
US-7619095-B2 Process for the preparation of indolone derivative ALEMBIC LIMITED (IN) 2009-11-17 US disclosed
EP-1848691-B1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LTD (IN) 2009-11-11 EP disclosed
US-20080262244-A1 Process for the Preparation of Indolone Derivative ALEMBIC LIMITED (IN) 2008-10-23 US disclosed
US-20080262244-A1 Process for the Preparation of Indolone Derivative ALEMBIC LIMITED (IN) 2008-10-23 US disclosed
WO-2006123356-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LIMITED (IN) 2006-11-23 WO disclosed
EP-0113964-B1 4-AMINOALKYL-2(3H)-INDOLONES SMITHKLINE BECKMAN CORPORATION (US) 1986-10-22 EP disclosed
US-4588740-A Pharmaceutical methods using 4-aminoalkyl-2(3H)-indolones SMITHKLINE BECKMAN CORPORATION (US) 1986-05-13 US disclosed
EP-0113964-A1 4-Aminoalkyl-2(3H)-indolones SMITHKLINE BECKMAN CORPORATION (US) 1984-07-25 EP disclosed
US-4452808-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1984-06-05 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 (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-20080262244-A1 Process for the Preparation of Indolone Derivative HTR3C, HTR3B, HTR1B DRD2 48/4885HTR1A 16/4885ACHE 691/4885
US-20120253051-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PRLHR, ADCYAP1R1, REN DRD2 26/4885HTR1A 792/4885ACHE 1641/4885

“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.