SCHEMBL549344

SCHEMBL549344

O=C(NCC(F)(F)F)c1cc(Cl)ncn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.52
MMP13 P45452 4/20 0.42
ULK1 O75385 2/20 0.39
CNR2 P34972 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL17837840 0.78 LOXL2 (0.46) LOXL2ULK1SMN1; SMN2SCN9ASCN10A
SCHEMBL294393 0.77 LOXL2 (0.66) LOXL2ULK1SMN1; SMN2
SCHEMBL5444974 0.76 P2RX7 (0.55) MMP13
SCHEMBL6521518 0.75 MMP13 (0.42) MMP13SMN1; SMN2
SCHEMBL24956517 0.74 LOXL2 (0.48) LOXL2ULK1CNR2SCN9ASCN10A
SCHEMBL24958708 0.74 LOXL2 (0.48) LOXL2ULK1CNR2SMN1; SMN2SCN9A
SCHEMBL2670750 0.73 BAZ2B (0.44) MMP13SCN9ASCN10A
SCHEMBL23684216 0.73 PRMT5 (0.40) MMP13CNR2
SCHEMBL23684732 0.73 PRMT5 (0.40) MMP13CNR2
SCHEMBL23684214 0.73 PRMT5 (0.40) MMP13CNR2

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 7 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
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
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
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 EP 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 LOXL2 3946/4885MMP13 3423/4885ULK1 1614/4885

“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.