SCHEMBL466696

SCHEMBL466696

CC(=O)OC(=O)[C@H](N)Cc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
DPP4 P27487 1/20 0.50
TACR1 P25103 3/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
MC3R P41968 2/20 0.46
OPRD1 P41143 2/20 0.46
PTPN1 P18031 1/20 0.45
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL245249 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL237566 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL4633497 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL5845125 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BDPP4TACR1
Hydrochloric Acid SCHEMBL2896538 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
Hydrochloric Acid SCHEMBL4633494 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL839749 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
Hydrochloric Acid SCHEMBL237565 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL839943 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL22995865 0.84 HTR2A (0.58) HTR2AHTR2CHTR2BDPP4TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585486-B1 NEW OCTAPEPTIDIC COMPOUNDS AND THEIR USE IN THERAPY IPSEN PHARMA SAS (FR) 2014-05-14 EP disclosed
US-20130252892-A1 NOVEL OCTAPEPTIDE COMPOUNDS AND THERAPEUTIC USE THEREOF IPSEN PHARMA S.A.S (FR) 2013-09-26 US disclosed
EP-2399931-A1 New octapeptide compounds and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2011-12-28 EP disclosed
US-6153587-A Conformationally constrained LH-RH analogues, their uses and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2000-11-28 US disclosed
EP-0937101-B1 CONFORMATIONALLY CONSTRAINED LH-RH ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THERAMEX (MC) 2000-10-11 EP disclosed
EP-0937101-A1 CONFORMATIONALLY CONSTRAINED LH-RH ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 1999-08-25 EP disclosed
WO-1998021229-A1 CONFORMATIONALLY CONSTRAINED LH-RH ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 1998-05-22 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-20130252892-A1 NOVEL OCTAPEPTIDE COMPOUNDS AND THERAPEUTIC USE THEREOF SSTR5, SSTR4, SSTR3 HTR2A 441/4885HTR2C 540/4885HTR2B 504/4885

“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.