SCHEMBL15075331

SCHEMBL15075331

CC(=O)CCCN1CCc2nc(N)sc2CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.55
DRD3 P35462 6/20 0.55
MAPT P10636 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
LMNA P02545 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR2A P28223 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
OPRK1 P41145 1/20 0.52
RAD52 P43351 2/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PAOX Q6QHF9 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HDAC6 Q9UBN7 2/20 0.36

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
SCHEMBL15996427 0.88 DRD3 (0.56) DRD2DRD3MAPTHRH3LMNA
SCHEMBL4628121 0.81 DRD3 (0.63) DRD2DRD3MAPTHRH3LMNA
SCHEMBL5059513 0.79 DRD2 (0.56) DRD2DRD3MAPTHRH3LMNA
Hydrochloric Acid SCHEMBL11395621 0.77 MAPT (0.62) DRD2DRD3MAPTHRH3LMNA
Hydrochloric Acid SCHEMBL10657526 0.77 RAD52 (0.63) DRD2DRD3MAPTHRH3LMNA
SCHEMBL5059578 0.76 DRD2 (0.55) DRD2DRD3MAPTHRH3LMNA
SCHEMBL5059575 0.76 DRD2 (0.52) DRD2DRD3MAPTHRH3LMNA
SCHEMBL563307 0.75 RAD52 (0.79) DRD2DRD3MAPTHRH3LMNA
SCHEMBL13884476 0.75 TSHR (0.44) DRD2DRD3MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10652670 0.74 RAD52 (0.77) DRD2DRD3MAPTHRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137489-A1 Process for the Synthesis of Therapeutic Peptides IPSEN MANUFACTURING IRELAND LIMITED (IE) 2017-05-18 US disclosed
US-9475837-B2 Process for the synthesis of therapeutic peptides IPSEN MANUFACTURING IRELAND LIMITED (IE) 2016-10-25 US disclosed
US-20150045534-A1 Process for the Synthesis of Therapeutic Peptides IPSEN MANUFACTURING IRELAND LIMITED (IE) 2015-02-12 US disclosed
US-8822442-B2 Somatostatin-dopamine chimeric analogs IPSEN PHARMA S.A.S. (FR) 2014-09-02 US disclosed
EP-1617856-B1 SOMATOSTATIN-DOPAMINE CHIMERIC ANALOGS IPSEN PHARMA (FR) 2014-01-15 EP disclosed
WO-2013093639-A1 PROCESS FOR THE SYNTHESIS OF THERAPEUTIC PEPTIDES IPSEN MANUFACTURING IRELAND LIMITED (IE) 2013-06-27 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-20150045534-A1 Process for the Synthesis of Therapeutic Peptides MAX, VIP, SFPQ DRD2 4642/4885DRD3 4178/4885MAPT 1661/4885
US-20170137489-A1 Process for the Synthesis of Therapeutic Peptides NPEPPS, DNPEP, QPCT DRD2 4692/4885DRD3 4408/4885MAPT 1243/4885

“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.