SCHEMBL3278788

SCHEMBL3278788

CCc1cc(C[CH]C(=O)N2CCN(c3ccc(C(=O)C(F)(F)F)cc3)CC2)ccc1CC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 3/20 0.40
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.35
PTK2 Q05397 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
DPP4 P27487 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
SCHEMBL6808324 0.77 MCHR1 (0.34) LMNAKMT2AALDH1A1MEN1
SCHEMBL3278793 0.75 DPP4 (0.46) SMN1; SMN2HTTLMNAGAAKMT2A
SCHEMBL3285679 0.73 L3MBTL3 (0.39)
SCHEMBL3277827 0.73 ALDH1A1 (0.35) KMT2AKDM4EALDH1A1PTK2TSHR
SCHEMBL3279067 0.72 L3MBTL3 (0.34) KMT2AALDH1A1HPGDMEN1
SCHEMBL3279001 0.72 PKM (0.33) ALOX15
SCHEMBL3278345 0.71 CYP2D6 (0.36) KMT2AALDH1A1HPGDMEN1
SCHEMBL3282803 0.71 CYP2D6 (0.36) KMT2AALDH1A1HPGDMEN1
SCHEMBL3284864 0.71
SCHEMBL3278800 0.69 CCR5 (0.34)

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 6 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
EP-1558601-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US disclosed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO 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 SMN1; SMN2 3278/4885HTT 3436/4885LMNA 1416/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA SMN1; SMN2 3278/4885HTT 3436/4885LMNA 1416/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA SMN1; SMN2 3458/4885HTT 3030/4885LMNA 2216/4885

“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.