SCHEMBL2245482

SCHEMBL2245482

COc1ccc(C[C@@H]2CNCCN2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
DBH P09172 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
LTA4H P09960 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
TNF P01375 1/20 0.38
MAPT P10636 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL5270104 1.00 HRH3 (0.41) HRH3KDM1AMAOAMAOBDBH
SCHEMBL27468575 0.89 HRH3 (0.41) HRH3MAPK1LMNALTA4HPDE4A
Hydrochloric Acid SCHEMBL27470245 0.88 HRH3 (0.40) HRH3MAPK1LMNALTA4HPDE4A
Bromide SCHEMBL6132803 0.84 HRH3 (0.41) HRH3KDM1AMAOAMAOBDBH
SCHEMBL14683211 0.82 CHRNB4 (0.49) MAPK1LMNAALDH1A1HTT
SCHEMBL28746746 0.82 HRH3 (0.43) HRH3ALDH1A1LTA4H
Bromide SCHEMBL6132805 0.81 HRH3 (0.41) HRH3MAPK1LMNAALDH1A1LTA4H
SCHEMBL27508444 0.81 HTR2A (0.43) HRH3MAPK1LMNALTA4HPDE4A
Hydrochloric Acid SCHEMBL27519893 0.80 HTR2A (0.42) HRH3MAPK1LMNALTA4HPDE4A
Bromide SCHEMBL5369378 0.80 HTR2A (0.50) HRH3LTA4H

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
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD HRH3 18/4885KDM1A 1697/4885MAOA 145/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD HRH3 19/4885KDM1A 1621/4885MAOA 142/4885

“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.