SCHEMBL3440734

SCHEMBL3440734

COC1CN(C)Cc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PNMT P11086 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL3441097 0.75 SLC6A2 (0.43) MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL10956666 0.74 NPC1 (0.42) ALDH1A1L3MBTL1SIRT6SLC6A2SLC6A4
SCHEMBL29945643 0.74 DPP7 (0.50) HIF1AALDH1A1SIRT6LMNAMAPT
SCHEMBL16571285 0.74 MEN1 (0.42) HIF1AALDH1A1SIRT6HTTLMNA
SCHEMBL2916572 0.73 DRD2 (0.42) HIF1AALDH1A1L3MBTL1SIRT6ACHE
SCHEMBL2910014 0.72 PNMT (0.42) ALDH1A1L3MBTL1HTTSMN1; SMN2PNMT
SCHEMBL15270135 0.71 ALDH1A1 (0.40) HIF1AALDH1A1L3MBTL1HSP90AA1HTT
SCHEMBL2062289 0.71 PNMT (0.54) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL324724 0.70 ADRA2A (0.51) ALDH1A1L3MBTL1SIRT6HTTLMNA
SCHEMBL29558059 0.70 ADRA2A (0.51) ALDH1A1L3MBTL1SIRT6HTTLMNA

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-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-7807693-B2 Substituted prolinamides, manufacturing, and the use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 US disclosed
EP-2051975-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS Boehringer Ingelheim International GmbH (DE) 2009-04-29 EP disclosed
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2008-06-12 US disclosed
WO-2007131982-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 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-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS PPID, PREP, P4HA1 HIF1A 1944/4885ALDH1A1 1325/4885L3MBTL1 2172/4885

“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.