SCHEMBL15023129

SCHEMBL15023129

NC(=O)[CH]c1ccc(Br)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.46
▸ MGAM O43451 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ KDM1A O60341 3/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ KDM1B Q8NB78 1/20 0.37
▸ NPFFR1 Q9GZQ6 3/20 0.36
▸ NPFFR2 Q9Y5X5 3/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ PLA2G7 Q13093 2/20 0.35
▸ VCP P55072 1/20 0.34
▸ MAOA P21397 4/20 0.34
▸ MAOB P27338 4/20 0.34
▸ RCOR1 Q9UKL0 1/20 0.33
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL27488322 0.85 AKR1C3 (0.43) KIF11MGAMGAASIMGAM2
SCHEMBL3161665 0.82 PLA2G7 (0.49) GAAPLA2G7IDO1
SCHEMBL30834416 0.79 TRPA1 (0.44) KIF11MGAMGAASIMGAM2
SCHEMBL2692692 0.77 ALDH1A1 (0.38) NPFFR1NPFFR2AKR1C3AKR1C2
SCHEMBL3176520 0.77 KCNA3 (0.39) NPFFR1NPFFR2PLA2G7IDO1
SCHEMBL16960237 0.75 KDM1A (0.37) KIF11MGAMGAASIMGAM2
SCHEMBL361060 0.75 ALDH1A1 (0.50) KIF11MGAMGAASIMGAM2
SCHEMBL3182714 0.74 KIF11 (0.51) KIF11KDM1A
SCHEMBL2571093 0.74 AKR1C3 (0.67) GAAAKR1C3AKR1C2MAOAMAOB
SCHEMBL2571095 0.74 AKR1C3 (0.67) GAAAKR1C3AKR1C2MAOAMAOB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903982-B1 NEW PYRROLIDINE DERIVATIVES AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-12-28 — — EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
EP-2794587-B1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-03-16 — — EP disclosed
US-9169205-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-27 — — US disclosed
EP-2903982-A1 NEW PYRROLIDINE DERIVATIVES AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2015-08-12 — — EP disclosed
EP-2794587-A1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2014-10-29 — — EP disclosed
EP-2794586-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2014-10-29 — — EP disclosed
US-8765959-B2 Piperidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 — — US disclosed
WO-2014056771-A1 NEW PYRROLIDINE DERIVATIVES AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-17 — — WO disclosed
US-20140100211-A1 New pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-10 — — US disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 — — US disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
WO-2013092976-A1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
US-20130165444-A1 Piperidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — US disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US 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-20130158004-A1 Azetidine Derivatives GPR119, LIPE, LPL KIF11 3715/4885MGAM 1236/4885GAA 36/4885
US-20130165444-A1 Piperidine Derivatives PPARD, FABP4, PLIN5 KIF11 3347/4885MGAM 3008/4885GAA 625/4885
US-20140100211-A1 New pyrrolidine derivatives, pharmaceutical compositions and uses thereof ARG2, PPARD, FABP4 KIF11 3794/4885MGAM 1079/4885GAA 779/4885

“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.

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