SCHEMBL549085

SCHEMBL549085

FC(F)(F)CNCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ATM Q13315 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
NPC1 O15118 1/20 0.48
KDM1A O60341 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
IDO1 P14902 1/20 0.48
TSHR P16473 1/20 0.48

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
Hydrochloric Acid SCHEMBL5383587 0.98 GAA (0.59) SIGMAR1GAAMAPTL3MBTL1KCNH2
SCHEMBL16098854 0.80 TAAR1 (0.52) L3MBTL1TAAR1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5386037 0.80 SIGMAR1 (0.57) SIGMAR1GAAMAPTL3MBTL1KCNH2
SCHEMBL283735 0.79 SIGMAR1 (0.81) SIGMAR1GAAMAPTKCNH2ALDH1A1
SCHEMBL13036524 0.79 SIGMAR1 (0.55) SIGMAR1GAAMAPTL3MBTL1KCNH2
SCHEMBL19352992 0.79 SIGMAR1 (0.66) SIGMAR1GAAMAPTKCNH2SLC6A2
SCHEMBL550153 0.78 MEN1 (0.56) SIGMAR1GAAMAPTCYP3A4IDO1
SCHEMBL21583864 0.78 TAAR1 (0.57) SIGMAR1TAAR1NPC1CYP1A2CYP2D6
SCHEMBL21583899 0.78 BCHE (0.66) CYP2D6MAOAMAOB
Hydrochloric Acid SCHEMBL5028920 0.77 SIGMAR1 (0.77) SIGMAR1GAAMAPTL3MBTL1KCNH2

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-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225227-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 EP disclosed
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 EP disclosed
CN-1499972-A Imidazolyl derivatives as corticotropin releasing factor inhibitors ����˹�ж�-����˹˹������˾ 2004-05-26 CN 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 (1 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA SIGMAR1 197/4885GAA 3037/4885MAPT 797/4885

“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.