SCHEMBL8670408

SCHEMBL8670408

O=[N+]([O-])CCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
KCNJ1 P48048 2/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LTA4H P09960 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL20214885 0.98 HRH3 (0.48) HRH3ALDH1A1MAPTPOLBKCNJ1
SCHEMBL14818235 0.81 ALDH1A1 (0.42) ALDH1A1KCNJ1KCNH2L3MBTL1SMN1; SMN2
SCHEMBL579720 0.77 POLB (0.50) ALDH1A1MAPTPOLBKCNJ1KCNH2
SCHEMBL9973250 0.77 KCNJ1 (0.53) ALDH1A1MAPTPOLBKCNJ1KCNH2
SCHEMBL1546934 0.76 HRH3 (0.50) HRH3ALDH1A1MAPTKCNJ1SMN1; SMN2
SCHEMBL28408773 0.75 MAPT (0.39) HRH3ALDH1A1MAPTPOLBKDM4E
SCHEMBL9799773 0.71 ALDH1A1 (0.44) HRH3ALDH1A1MAPTPOLBKCNH2
SCHEMBL6355550 0.70 HRH3 (0.61) HRH3ALDH1A1MAPTPOLBL3MBTL1
Nitric Acid SCHEMBL4891397 0.70 HRH3 (0.42) HRH3ALDH1A1MAPTPOLBKDM4E
SCHEMBL23828671 0.69 HRH3 (0.69) HRH3ALDH1A1MAPTPOLBL3MBTL1

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
CN-112989706-A Tunnel lamp illumination attenuation prediction method 东北大学 2021-06-18 CN disclosed
EP-3611171-A1 METHOD FOR SYNTHESIS OF ELIGLUSTAT AND INTERMEDIATE COMPOUNDS THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2020-02-19 EP disclosed
US-8669259-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 US disclosed
US-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2012-08-16 US disclosed
US-5750802-A (1R*, 2S)-1-phenyl-2-nitroalcohols and method for producing same AMVAC CHEMICAL CORPORATION (US) 1998-05-12 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 (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-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK1, MTOR, GAK HRH3 1451/4885ALDH1A1 2722/4885MAPT 710/4885

“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.