SCHEMBL4586630

SCHEMBL4586630

CN1CCN(C(=O)C(N)Cc2ccc3[nH]c(=O)oc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
HTR1A P08908 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP3A4 P08684 2/20 0.42
CALCRL Q16602 1/20 0.42
ENPP2 Q13822 4/20 0.41
OPRK1 P41145 1/20 0.41
OPRD1 P41143 2/20 0.40
KCNH2 Q12809 1/20 0.40
ATXN2 Q99700 1/20 0.40
CYP2C19 P33261 1/20 0.40
ROCK2 O75116 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL3594185 0.89 SMYD3 (0.47) SMYD3HTR1ASLC6A2SLC6A3CYP3A4
SCHEMBL4593675 0.89 CYP3A4 (0.47) SMYD3HTR1ASLC6A2SLC6A3CYP3A4
SCHEMBL4592714 0.84 ROCK2 (0.46) SMYD3HTR1ASLC6A2SLC6A3CYP3A4
SCHEMBL3598612 0.84 CYP3A4 (0.51) SMYD3CYP3A4CALCRLENPP2OPRD1
SCHEMBL4585876 0.82 CALCRL (0.59) SMYD3CYP3A4CALCRLENPP2
SCHEMBL18324458 0.79 SLC7A5 (0.50) OPRK1OPRD1HTR2AHSD17B10
SCHEMBL3062888 0.77 ENPP2 (0.63) KMT2ASMYD3ENPP2KCNH2ATXN2
SCHEMBL105220 0.77 ENPP2 (0.63) KMT2ASMYD3ENPP2KCNH2ATXN2
SCHEMBL3592677 0.77 CREBBP (0.53) OPRK1OPRD1
SCHEMBL3592672 0.77 CREBBP (0.53) OPRK1OPRD1

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 12 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
CN-100558428-C Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2009-11-11 CN claimed
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP claimed
CN-1917921-A Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2007-02-21 CN 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
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP 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
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO 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 MEN1 969/4885KMT2A 4716/4885SMYD3 4601/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR MEN1 969/4885KMT2A 4716/4885SMYD3 4601/4885

“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.