SCHEMBL3285679

SCHEMBL3285679

CCc1cc(C[CH]C(=O)N2CCC(N3CCC3)CC2)ccc1CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 19/20 0.39
L3MBTL1 Q9Y468 16/20 0.39
MBTD1 Q05BQ5 7/20 0.38
L3MBTL4 Q8NA19 2/20 0.36
TP53BP1 Q12888 2/20 0.36

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
SCHEMBL3279067 0.88 L3MBTL3 (0.34) L3MBTL3L3MBTL1MBTD1
SCHEMBL3278800 0.88 CCR5 (0.34) L3MBTL3L3MBTL1MBTD1
SCHEMBL3279286 0.88 L3MBTL3 (0.38) L3MBTL3L3MBTL1MBTD1L3MBTL4TP53BP1
SCHEMBL3278345 0.88 CYP2D6 (0.36) L3MBTL3L3MBTL1MBTD1
SCHEMBL3282803 0.88 CYP2D6 (0.36) L3MBTL3L3MBTL1MBTD1
SCHEMBL6808324 0.87 MCHR1 (0.34)
SCHEMBL3277827 0.87 ALDH1A1 (0.35) L3MBTL3L3MBTL1
SCHEMBL5250106 0.85 ACACB (0.38) L3MBTL3L3MBTL1MBTD1
SCHEMBL3279563 0.85 ACACB (0.38) L3MBTL3L3MBTL1MBTD1
SCHEMBL3279106 0.82 ITGB3 (0.39) L3MBTL3L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA L3MBTL3 4478/4885L3MBTL1 3083/4885MBTD1 881/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA L3MBTL3 4478/4885L3MBTL1 3083/4885MBTD1 881/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA L3MBTL3 4549/4885L3MBTL1 2373/4885MBTD1 1263/4885

“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.