SCHEMBL816987

SCHEMBL816987

CCOC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.70
HTR2C P28335 5/20 0.70
HTR1A P08908 4/20 0.70
HTR2A P28223 4/20 0.70
HTR2B P41595 4/20 0.70
ALDH1A1 P00352 4/20 0.70
NFKB1 P19838 3/20 0.70
BLM P54132 3/20 0.70
TSHR P16473 3/20 0.70
LMNA P02545 3/20 0.70
CYP3A4 P08684 3/20 0.70
MAPT P10636 3/20 0.70
KDM4E B2RXH2 3/20 0.70
PMP22 Q01453 2/20 0.70
HTR7 P34969 2/20 0.70
KMT2A Q03164 2/20 0.70
ADORA3 P0DMS8 1/20 0.70
ALOX15 P16050 1/20 0.70
SLC6A4 P31645 1/20 0.70
MTOR P42345 1/20 0.70

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
SCHEMBL10407437 1.00 NPSR1 (0.70) NPSR1HTR2CHTR1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL818356 0.99 NPSR1 (0.69) NPSR1HTR2CHTR1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL818357 0.99 NPSR1 (0.69) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL10900004 0.92 NPSR1 (0.63) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL6775810 0.89 NPSR1 (0.72) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL471920 0.89 NPSR1 (0.72) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL19357216 0.88 HTR2C (0.76) NPSR1HTR2CHTR1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL5123328 0.88 NPSR1 (0.70) NPSR1HTR2CHTR1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL471919 0.88 NPSR1 (0.70) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL10900257 0.86 NPSR1 (0.73) NPSR1HTR2CHTR1AHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461289-B2 Bioresorbable polymers synthesized from monomer analogs of natural metabolites RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-06-11 US disclosed
US-8415449-B2 Bioresorbable polymers synthesized from monomer analogs of natural metabolites RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-04-09 US disclosed
US-20120302719-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-11-29 US disclosed
US-20120197001-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-08-02 US disclosed
EP-2459617-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES Rutgers, The State University of New Jersey (US) 2012-06-06 EP disclosed
US-20110275782-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-11-10 US disclosed
EP-2334712-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES Rutgers, The State University of New Jersey (US) 2011-06-22 EP disclosed
WO-2011014858-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-02-03 WO disclosed
WO-2010033640-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-03-25 WO disclosed
CN-1861560-A Carboxylic acid derivant, its preparation process and pharmaceutical composition SHANGHAI PHARMACEUTICAL INST C (CN) 2006-11-15 CN disclosed
EP-0701557-A4 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ MOHAMMAD (US) 1997-07-09 EP disclosed
EP-0701557-A1 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ, Mohammad (US) 1996-03-20 EP disclosed
EP-0498268-A2 5-Oxo-L-proline derivatives and pharmaceutical use thereof POLI INDUSTRIA CHIMICA S.p.A. (IT) 1992-08-12 EP disclosed
US-4908322-A Reacting sample with O-acyl N-hydroxysulfosuccinamide to form N-acylated amine derivative, separating, chromatographically analyzing THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1990-03-13 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-20110275782-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES BCAT2, WASF2, THEM6 NPSR1 469/4885HTR2C 4445/4885HTR1A 4567/4885
US-20120302719-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES BCAT2, WASF2, THEM6 NPSR1 469/4885HTR2C 4445/4885HTR1A 4567/4885

“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.