SCHEMBL1661152

SCHEMBL1661152

CN(C(=O)C(F)(F)F)c1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.55
NPC1 O15118 12/20 0.55
KDM4E B2RXH2 11/20 0.55
ALDH1A1 P00352 8/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
GFER P55789 3/20 0.55
HPGD P15428 3/20 0.55
FASN P49327 1/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
HDAC6 Q9UBN7 1/20 0.52
POLB P06746 2/20 0.51
PKM P14618 4/20 0.51
EPHX2 P34913 1/20 0.51
MAPK1 P28482 2/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 1/20 0.48
MIF P14174 1/20 0.48
CLK1 P49759 1/20 0.47

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
SCHEMBL14719214 0.80 RAB9A (0.51) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6395294 0.79 APP (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL14719213 0.76 PTGS1 (0.57) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10752842 0.76 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1662102 0.76 KDM4E (0.63) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13325909 0.76 RAB9A (0.83) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2427998 0.74 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13325938 0.74 RAB9A (0.80) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13325928 0.74 RAB9A (0.68) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2817012 0.74 RAB9A (0.65) RAB9ANPC1KDM4EALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491009-B1 CYCLOPENTANECARBOXAMIDE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-07-05 EP disclosed
US-8614238-B2 Cyclopentanecarboxamide derivatives, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-24 US disclosed
US-20130053412-A1 Cyclopentanecarboxamide derivatives, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
EP-2491009-A1 CYCLOPENTANECARBOXAMIDE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
WO-2011048018-A1 CYCLOPENTANECARBOXAMIDE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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 (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-20130053412-A1 Cyclopentanecarboxamide derivatives, medicaments containing such compounds and their use CPT1A, FASN, CES1 RAB9A 4531/4885NPC1 116/4885KDM4E 2941/4885

“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.