SCHEMBL4593672

SCHEMBL4593672

NC(=O)C1CCCCN1C(=O)[CH]Cc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GRIN2D O15399 4/20 0.39
GRIN3B O60391 4/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
GRIN2B Q13224 4/20 0.39
GRIN2C Q14957 4/20 0.39
GRIN3A Q8TCU5 4/20 0.39
ALPL P05186 1/20 0.38
ENPP2 Q13822 4/20 0.38
SMYD3 Q9H7B4 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL4585680 0.86 HTR1A (0.39) HTR1ASLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL4593260 0.83 CYP3A4 (0.36) HTR1AMEN1KMT2A
SCHEMBL4592711 0.80 HTR1A (0.44) HTR1ASLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL4586626 0.78 HTR1A (0.47) HTR1ASLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL6163270 0.75 SPHK1 (0.47) HTR1AALDH1A1FKBP1A
SCHEMBL3594183 0.72 HTR1A (0.42) HTR1ASLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL3136103 0.72 HTR1A (0.50) HTR1AKMT2AALDH1A1
SCHEMBL3138570 0.71 SPHK1 (0.50) HTR1A
SCHEMBL3992162 0.69 ICMT (0.38) HTR1A
SCHEMBL7366397 0.69 SPHK1 (0.58) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP claimed
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP claimed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP claimed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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 (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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR HTR1A 171/4885SLC6A2 2782/4885SLC6A3 4300/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR HTR1A 171/4885SLC6A2 2782/4885SLC6A3 4300/4885

“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.