SCHEMBL3257516

SCHEMBL3257516

CCCCCC1CCNCC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
S1PR3 Q99500 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3259610 0.87 ALOX5 (0.42) ALOX5GNAI3GNAO1GNAI1S1PR3
SCHEMBL3022670 0.85 ALOX5 (0.46) ALOX5S1PR3ALDH1A1
SCHEMBL26523031 0.84 ALOX5 (0.41) ALOX5GNAI3GNAO1GNAI1
SCHEMBL24303381 0.83 ALOX5 (0.49) ALOX5GNAI3GNAO1GNAI1S1PR3
SCHEMBL28026805 0.83 ARG1 (0.38)
SCHEMBL17474576 0.81 SLC6A1 (0.42)
SCHEMBL6677614 0.80 ALDH1A1 (0.44) ALOX5S1PR3ALDH1A1
SCHEMBL6678006 0.80 ALDH1A1 (0.44) ALOX5S1PR3ALDH1A1
SCHEMBL6678013 0.80 ALDH1A1 (0.44) ALOX5S1PR3ALDH1A1
Hydrochloric Acid SCHEMBL25225049 0.80 SLC6A1 (0.41)

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293900-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP (US) 2012-10-23 US disclosed
EP-1610789-B1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2010-07-21 EP disclosed
US-7652024-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-01-26 US disclosed
US-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-12-31 US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MERCK & CO., INC. (US) 2009-07-02 US disclosed
EP-2068867-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-06-17 EP disclosed
EP-1940401-A4 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO INC (US) 2008-12-17 EP disclosed
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
EP-1940842-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-07-09 EP disclosed
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
EP-1383501-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-01-28 EP disclosed
EP-1372653-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-01-02 EP disclosed
US-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2002068387-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed
WO-2002068388-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed
US-4435572-A FROM 3-METHOXYBENZALDEHYDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1984-03-06 US disclosed
US-4346224-A MORPHINE ANALOGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1982-08-24 US disclosed
US-4289882-A MORPHINE ANALOG ANALGESICS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1981-09-15 US disclosed
US-4189583-A FROM 1-METHYL-2-OXO-3-METHYLENE-4-(3'-METHOXYPHENYL)-4 -(CARBOXYMETHYLENE)PIPERIDINE BY CYCLIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-19 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 (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-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC3R ALOX5 2503/4885GNAI3 469/4885GNAO1 349/4885
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R ALOX5 2647/4885GNAI3 472/4885GNAO1 445/4885
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R ALOX5 2503/4885GNAI3 469/4885GNAO1 349/4885
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R ALOX5 1727/4885GNAI3 508/4885GNAO1 519/4885
US-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R ALOX5 1727/4885GNAI3 508/4885GNAO1 519/4885

“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.