SCHEMBL71056

SCHEMBL71056

CC(=O)N[C@@H](C)c1cc(Cl)ccc1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.41
MC4R P32245 5/20 0.40
MC5R P33032 2/20 0.40
MC3R P41968 2/20 0.40
HTR1F P30939 1/20 0.40
ACACB O00763 2/20 0.39
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GAA P10253 1/20 0.38
SHMT1 P34896 1/20 0.38
SHMT2 P34897 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
SCHEMBL13713476 1.00 HTR6 (0.41) HTR6MC4RMC5RMC3RHTR1F
Hydrochloric Acid SCHEMBL6612954 0.99 HTR6 (0.40) HTR6MC4RMC5RMC3RHTR1F
Hydrochloric Acid SCHEMBL3123499 0.99 HTR6 (0.40) HTR6MC4RMC5RMC3RHTR1F
SCHEMBL14540392 0.84 MC4R (0.54) MC4RMC5RMC3R
SCHEMBL14540631 0.84 MC4R (0.45) MC4RMC5RMC3RHTR1FACACB
SCHEMBL6867393 0.82 MC4R (0.48) MC4RMC5RMC3R
SCHEMBL1697490 0.82 HTR2C (0.46) HTR1FHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1697486 0.82 HTR2C (0.46) HTR1FHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1697782 0.82 HTR2C (0.46) HTR1FHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14540632 0.77 HTR6 (0.46) HTR6HTR1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129413-B2 Crystalline forms of MC4R agonist and process for synthesis MERCK SHARP & DOHME CORP. (US) 2012-03-06 US disclosed
US-8129413-B2 Crystalline forms of MC4R agonist and process for synthesis MERCK SHARP & DOHME CORP. (US) 2012-03-06 US disclosed
US-20090233967-A1 Crystalline forms of mc4r agonist and process for synthesis MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233967-A1 Crystalline forms of mc4r agonist and process for synthesis MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
WO-2007002462-A2 CRYSTALLINE FORMS OF MC4R AGONIST AND PROCESS FOR SYNTHESIS MERCK & CO., INC. (US) 2007-01-04 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 (1 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-20090233967-A1 Crystalline forms of mc4r agonist and process for synthesis MC4R, MC3R, MC2R HTR6 300/4885MC4R 1/4885MC5R 4/4885

“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.