SCHEMBL441409

SCHEMBL441409

CCOC(=O)c1cccc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
MAPT P10636 4/20 0.51
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
P2RY12 Q9H244 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KMT2A Q03164 4/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 3/20 0.44
DPP4 P27487 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CKS1B P61024 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
SCHEMBL28534611 0.87 CYP1A2 (0.60) CYP1A2MAPTKDM4EALDH1A1NPC1
SCHEMBL21875248 0.85 CYP1A2 (0.62) CYP1A2MAPTKDM4EALDH1A1NPC1
SCHEMBL439026 0.84 CKS1B (0.55) CYP1A2MAPTKDM4EALDH1A1MAPK1
SCHEMBL2810512 0.83 CYP1A2 (0.59) CYP1A2MAPTKDM4EALDH1A1MAPK1
SCHEMBL6967592 0.83 CYP1A2 (0.59) CYP1A2MAPTKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL445411 0.82 CYP1A2 (0.57) CYP1A2MAPTKDM4EALDH1A1HSD17B10
SCHEMBL6945432 0.81 CYP1A2 (0.56) CYP1A2MAPTKDM4EALDH1A1MAPK1
SCHEMBL31337804 0.81 CYP1A2 (0.56) CYP1A2MAPTKDM4EALDH1A1MAPK1
SCHEMBL22304530 0.78 CYP1A2 (0.52) CYP1A2MAPTKDM4EALDH1A1HSD17B10
SCHEMBL441577 0.78 ALDH1A1 (0.44) CYP1A2MAPTKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748420-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-8604040-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 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 (2 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-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 CYP1A2 9/4885MAPT 3037/4885KDM4E 2528/4885
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 CYP1A2 11/4885MAPT 3128/4885KDM4E 2599/4885

“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.