SCHEMBL4855664

SCHEMBL4855664

N#Cc1c(C(N)=O)[nH]c2ccc(C[CH]C(=O)N3CCC(N4CCCCC4)CC3)cc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
L3MBTL3 Q96JM7 11/20 0.36
L3MBTL1 Q9Y468 10/20 0.36
MBTD1 Q05BQ5 6/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
TP53BP1 Q12888 2/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CALCRL Q16602 1/20 0.33

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
SCHEMBL3602706 0.78 DYRK1A (0.46) L3MBTL3L3MBTL1MBTD1LRRK2CALCRL
SCHEMBL4862660 0.78 HRH4 (0.44) L3MBTL3L3MBTL1MBTD1
SCHEMBL6800821 0.76 CALCRL (0.42) ALDH1A1KDM4EMAPTRAD52L3MBTL3
SCHEMBL4862674 0.76 L3MBTL3 (0.38) ALDH1A1L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4852839 0.74 L3MBTL3 (0.34) L3MBTL3L3MBTL1MBTD1TP53BP1CALCRL
SCHEMBL4722263 0.73 CYP3A4 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3314168 0.73 L3MBTL3 (0.47) L3MBTL3L3MBTL1MBTD1ACACBACACA
SCHEMBL3279492 0.73 L3MBTL3 (0.50) ALDH1A1KDM4EL3MBTL3L3MBTL1MBTD1
SCHEMBL4860343 0.71 L3MBTL3 (0.41) ALDH1A1KDM4EL3MBTL3L3MBTL1MBTD1
SCHEMBL4594198 0.70 PDE3B (0.38) ALDH1A1KDM4EL3MBTL3L3MBTL1MBTD1

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
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO claimed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS 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-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO disclosed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO disclosed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH ALDH1A1 4339/4885TLR9 4392/4885TLR8 3717/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL ALDH1A1 2510/4885TLR9 1063/4885TLR8 1015/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR ALDH1A1 2525/4885TLR9 884/4885TLR8 1342/4885

“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.