SCHEMBL3592099

SCHEMBL3592099

NC(CN1CCC(O)CC1)C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.47
CHRM1 P11229 1/20 0.41
MBTD1 Q05BQ5 5/20 0.41
L3MBTL3 Q96JM7 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ALOX15 P16050 1/20 0.41
DPP7 Q9UHL4 5/20 0.41
DPP4 P27487 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
LMNA P02545 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
SCHEMBL3590996 0.84 DPP8 (0.48) DPP8CHRM1MBTD1L3MBTL3L3MBTL1
SCHEMBL5143253 0.80 L3MBTL3 (0.47) DPP8CHRM1L3MBTL3L3MBTL1ALOX15
Hydrochloric Acid SCHEMBL5145928 0.79 L3MBTL3 (0.46) DPP8CHRM1L3MBTL3L3MBTL1ALOX15
SCHEMBL17152285 0.76 DPP8 (0.53) DPP8CHRM1MBTD1L3MBTL3L3MBTL1
SCHEMBL23514531 0.76 DPP8 (0.49) DPP8CHRM1MBTD1L3MBTL3L3MBTL1
SCHEMBL24963359 0.76 DPP8 (0.55) DPP8CHRM1MBTD1L3MBTL3L3MBTL1
SCHEMBL23514532 0.76 DPP8 (0.49) DPP8CHRM1MBTD1L3MBTL3L3MBTL1
SCHEMBL13030971 0.74 DPP7 (0.50) DPP8CHRM1MBTD1L3MBTL3L3MBTL1
SCHEMBL3587521 0.74 MEN1 (0.37) CHRM1MBTD1L3MBTL3L3MBTL1ALOX15
SCHEMBL3601175 0.74 CALCRL (0.51) ALDH1A1CYP3A4CYP2C19MEN1KMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023034466-A1 CGRP ANTAGONISTS FOR TREATING PSORIASIS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US claimed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US 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-2023034466-A1 CGRP ANTAGONISTS FOR TREATING PSORIASIS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO disclosed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-7754732-B2 Spirocyclic anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
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 (4 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 DPP8 3987/4885CHRM1 218/4885MBTD1 2240/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH DPP8 1290/4885CHRM1 448/4885MBTD1 1648/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL DPP8 3272/4885CHRM1 177/4885MBTD1 2856/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR DPP8 3987/4885CHRM1 218/4885MBTD1 2240/4885

“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.