SCHEMBL15313374

SCHEMBL15313374

O=C(c1cc[nH]n1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
ALDH1A1 P00352 2/20 0.50
GNE Q9Y223 1/20 0.47
NPC1 O15118 9/20 0.44
RAB9A P51151 8/20 0.44
PTK2 Q05397 1/20 0.44
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
GLA P06280 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
ALPL P05186 1/20 0.42

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
SCHEMBL3308470 0.98 GNE (0.49) HPGDALDH1A1GNENPC1RAB9A
SCHEMBL28478520 0.84 L3MBTL1 (0.39) HPGDALDH1A1GNENPC1RAB9A
SCHEMBL3117292 0.84 SIGMAR1 (0.50) HPGD
SCHEMBL2080947 0.83 KDM4C (0.48) HPGDNPC1RAB9AKDM4CSMN1; SMN2
SCHEMBL20029119 0.83 SMN1; SMN2 (0.53) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5162423 0.79 RAB9A (0.42) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL13741164 0.79 HRH3 (0.47)
SCHEMBL13212381 0.79 RECQL (0.58) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL28098355 0.79 ALDH1A1 (0.34) HPGDALDH1A1GNENPC1RAB9A
SCHEMBL5162764 0.77 RAB9A (0.40) HPGDALDH1A1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104245687-B N-acyl-2- (cyclo) alkylpyrrolidines and piperidines as fungicides 拜尔农科股份公司 2016-12-14 CN disclosed
CN-104245687-B N-acyl-2- (cyclo) alkylpyrrolidines and piperidines as fungicides 拜尔农科股份公司 2016-12-14 CN disclosed
EP-2836489-B1 N-ACYL-2-(CYCLO) ALKYLPYRROLIDINES AND PIPERIDINES USEFUL AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2016-06-29 EP disclosed
US-9357778-B2 N-acyl-2-(cyclo)alkypyrrolidines and piperidines useful as fungicides BAYER CROPSCIENCE AG (DE) 2016-06-07 US disclosed
US-9357778-B2 N-acyl-2-(cyclo)alkypyrrolidines and piperidines useful as fungicides BAYER CROPSCIENCE AG (DE) 2016-06-07 US disclosed
US-20150073029-A1 N-ACYL-2-(CYCLO)ALKYPYRROLIDINES AND PIPERIDINES USEFUL AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
US-20150073029-A1 N-ACYL-2-(CYCLO)ALKYPYRROLIDINES AND PIPERIDINES USEFUL AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
EP-2836489-A1 N-ACYL- 2 - (CYCLO) ALKYLPYRROLIDINES AND PIPERIDINES USEFUL AS FUNGICIDES Bayer Cropscience AG (DE) 2015-02-18 EP disclosed
EP-2836489-A1 N-ACYL- 2 - (CYCLO) ALKYLPYRROLIDINES AND PIPERIDINES USEFUL AS FUNGICIDES Bayer Cropscience AG (DE) 2015-02-18 EP disclosed
CN-104245687-A N-acyl-2- (cyclo) alkylpyrrolidines and piperidines as fungicides BAYER CROPSCIENCE AG 2014-12-24 CN disclosed
CN-104245687-A N-acyl-2- (cyclo) alkylpyrrolidines and piperidines as fungicides BAYER CROPSCIENCE AG 2014-12-24 CN disclosed
WO-2013153143-A1 N-ACYL- 2 - (CYCLO) ALKYLPYRROLIDINES AND PIPERIDINES USEFUL AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2013-10-17 WO disclosed
WO-2013153143-A1 N-ACYL- 2 - (CYCLO) ALKYLPYRROLIDINES AND PIPERIDINES USEFUL AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2013-10-17 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-20150073029-A1 N-ACYL-2-(CYCLO)ALKYPYRROLIDINES AND PIPERIDINES USEFUL AS FUNGICIDES NANP, ATL3, CBR3 HPGD 3367/4885ALDH1A1 1742/4885GNE 652/4885

“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.