SCHEMBL4857017

SCHEMBL4857017

NC(=O)c1n[nH]c2c(Cl)cc(C[CH]C(=O)N3CCC(N4CCCCC4)CC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
CYP3A4 P08684 4/20 0.37
CALCRL Q16602 3/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CALCA P06881 10/20 0.34
MBTD1 Q05BQ5 4/20 0.34
L3MBTL3 Q96JM7 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
WNT1 P04628 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 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
SCHEMBL6135494 0.89 L3MBTL3 (0.35) CYP3A4CALCRLCALCAMBTD1L3MBTL3
SCHEMBL4855835 0.88 CYP3A4 (0.38) CYP3A4CALCRLCYP2D6CYP2C19MBTD1
SCHEMBL5660062 0.84 BTK (0.33) L3MBTL3L3MBTL1
SCHEMBL3602706 0.83 DYRK1A (0.46) LRRK2CYP3A4CALCRLMBTD1L3MBTL3
SCHEMBL5658637 0.79 RBP4 (0.31) CALCA
SCHEMBL6797975 0.76 CYP3A4 (0.38) LRRK2CYP3A4CALCRLCYP2D6CYP2C19
SCHEMBL5659516 0.76 ALK (0.32)
SCHEMBL4722263 0.75 CYP3A4 (0.46) LRRK2CYP3A4CYP2D6CYP2C19MBTD1
SCHEMBL6798879 0.74 LRRK2 (0.39) LRRK2CYP3A4CYP2D6CYP2C19MBTD1
SCHEMBL3590858 0.74 CALCA (0.43) CALCRLCALCA

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 14 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
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
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
US-20240366618-A1 CGRP Antagonists for Treating Trigeminal Neuralgia PFIZER IRELAND PHARMACEUTICALS (IE) 2024-11-07 US disclosed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP 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
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 (5 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 LRRK2 904/4885CYP3A4 3269/4885CALCRL 1/4885
US-20240366618-A1 CGRP Antagonists for Treating Trigeminal Neuralgia OPRL1, CALCRL, CALCR LRRK2 2702/4885CYP3A4 4474/4885CALCRL 2/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH LRRK2 2610/4885CYP3A4 3940/4885CALCRL 430/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL LRRK2 1031/4885CYP3A4 3634/4885CALCRL 3/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR LRRK2 904/4885CYP3A4 3269/4885CALCRL 1/4885

“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.