SCHEMBL3279010

SCHEMBL3279010

NC(=O)N1CCN(C2CCN(C(=O)[CH]Cc3ccc4c(c3)CCCC4)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 8/20 0.38
L3MBTL1 Q9Y468 7/20 0.38
KDM2B Q8NHM5 2/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MBTD1 Q05BQ5 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CHRM1 P11229 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
FAAH O00519 1/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL3282544 1.00 L3MBTL3 (0.38) L3MBTL3L3MBTL1KDM2BACACBACACA
SCHEMBL3285188 0.83 CCR5 (0.41) L3MBTL3L3MBTL1ACACBACACASMN1; SMN2
SCHEMBL3284870 0.83 CCR5 (0.41) L3MBTL3L3MBTL1ACACBACACASMN1; SMN2
SCHEMBL5250106 0.83 ACACB (0.38) L3MBTL3L3MBTL1ACACBACACASMN1; SMN2
SCHEMBL3279563 0.83 ACACB (0.38) L3MBTL3L3MBTL1ACACBACACASMN1; SMN2
SCHEMBL3282588 0.82 ACACB (0.39) L3MBTL3L3MBTL1ACACBACACAMBTD1
SCHEMBL3279286 0.81 L3MBTL3 (0.38) L3MBTL3L3MBTL1ACACBACACASMN1; SMN2
SCHEMBL4722465 0.81 CCR3 (0.41) L3MBTL3L3MBTL1ACACBACACASMN1; SMN2
SCHEMBL4717841 0.81 CCR5 (0.39) L3MBTL3L3MBTL1ACACBACACASMN1; SMN2
SCHEMBL3314680 0.81 CCR3 (0.41) L3MBTL3L3MBTL1ACACBACACASMN1; SMN2

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 3083/4885KDM2B 1514/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA L3MBTL3 4478/4885L3MBTL1 3083/4885KDM2B 1514/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA L3MBTL3 4549/4885L3MBTL1 2373/4885KDM2B 3316/4885

“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.