SCHEMBL3307108

SCHEMBL3307108

O=C(N1CCN(C2CCN(Cc3ccccc3)CC2)CC1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.62
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 5/20 0.58
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
RECQL P46063 1/20 0.56
CHRM4 P08173 2/20 0.55
HRH3 Q9Y5N1 2/20 0.54

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
SCHEMBL3599380 0.85 ACHE (0.69) ACHEALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL3959065 0.83 ACHE (0.66) ACHEALDH1A1KDM4EKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3278353 0.81 SIGMAR1 (0.54) ACHEALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6440176 0.80 SLC18A3 (0.47) ALDH1A1KMT2ALMNA
SCHEMBL6440179 0.80 SLC18A3 (0.47) ALDH1A1KMT2ALMNA
SCHEMBL3709310 0.80 RECQL (0.70) ACHEALDH1A1KDM4ESMN1; SMN2RECQL
SCHEMBL4464843 0.80 ACHE (0.62) ACHEALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL3570582 0.79 ACHE (0.61) ACHEALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL25968010 0.79 KDM4E (0.71) ACHEALDH1A1KDM4EKMT2ALMNA
Hydrochloric Acid SCHEMBL3706762 0.79 RECQL (0.68) ACHEALDH1A1KDM4ESMN1; SMN2RECQL

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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 US disclosed
EP-1558600-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
WO-2004037810-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 (2 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ACHE 1031/4885ALDH1A1 1380/4885KDM4E 4688/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ACHE 1031/4885ALDH1A1 1380/4885KDM4E 4688/4885

“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.