SCHEMBL6178872

SCHEMBL6178872

CNC(=O)CCc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.66
MTNR1B P49286 1/20 0.55
P2RX7 Q99572 1/20 0.54
ATM Q13315 1/20 0.50
NQO2 P16083 1/20 0.50
CDYL Q9Y232 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACP3 P15309 1/20 0.49
PLK1 P53350 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47

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
SCHEMBL7199438 0.83 ATM (0.65) MTNR1AATMTDP1KDM4E
SCHEMBL22758120 0.83 MTNR1A (0.51) MTNR1AP2RX7ATMCDYLKDM4E
SCHEMBL30258002 0.81 IAPP (0.56) MTNR1AP2RX7NQO2CDYLTDP1
SCHEMBL4070601 0.81 IAPP (0.56) MTNR1AP2RX7NQO2CDYLTDP1
SCHEMBL9404001 0.81 MTNR1A (0.58) MTNR1AP2RX7ATMNQO2CDYL
SCHEMBL28561400 0.81 MAPT (0.60) MTNR1AP2RX7TDP1KDM4E
SCHEMBL7340131 0.80 TDP1 (0.58) MTNR1AP2RX7NQO2CDYLTDP1
SCHEMBL5707320 0.80 MAPT (0.62) MTNR1AP2RX7KDM4E
SCHEMBL30498970 0.80 CDYL (0.60) MTNR1AATMNQO2CDYLTDP1
SCHEMBL6615856 0.80 CDYL (0.60) MTNR1AATMNQO2CDYLTDP1

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
EP-1556361-A2 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2005-07-27 EP claimed
WO-2004037797-A2 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2004-05-06 WO claimed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
EP-3603648-A1 COMPLEX OF NUCLEIC ACID MEDICINE AND MULTIBRANCHED LIPID Shionogi & Co., Ltd (JP) 2020-02-05 EP disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 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 (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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 MTNR1A 3582/4885MTNR1B 3246/4885P2RX7 3834/4885

“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.