SCHEMBL2011929

SCHEMBL2011929

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
ALDH1A1 P00352 1/20 0.40
HCAR3 P49019 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Hydrochloric Acid SCHEMBL2012929 0.99 HTR1A (0.43) HTR1AALDH1A1HCAR3MEN1KMT2A
SCHEMBL13618631 0.93 HTR1A (0.43) HTR1AALDH1A1HCAR3MEN1KMT2A
SCHEMBL13623334 0.90 HTR1A (0.43) HTR1AALDH1A1HCAR3MEN1KMT2A
SCHEMBL2011768 0.86 DRD2 (0.43) HTR1AALDH1A1MEN1KMT2AKDM4E
SCHEMBL13930337 0.82 ALDH1A1 (0.51) HTR1AALDH1A1KDM4ELMNACHRM2
SCHEMBL8172704 0.82 FBP1 (0.49) ALDH1A1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL4739129 0.80 HTR1A (0.48) HTR1AKDM4ELMNACHRM2CYP3A4
SCHEMBL7292776 0.80 HTR1A (0.46) HTR1AALDH1A1KDM4ELMNACHRM2
SCHEMBL3841214 0.80 TDP1 (0.51) HTR1AALDH1A1KMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL2012002 0.79 TDP1 (0.50) HTR1AALDH1A1KMT2AKDM4ELMNA

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 10 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 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

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 HTR1A 16/4885ALDH1A1 786/4885HCAR3 3787/4885
US-20120253051-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PRLHR, ADCYAP1R1, REN HTR1A 792/4885ALDH1A1 2160/4885HCAR3 1676/4885

“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.