SCHEMBL4475769

SCHEMBL4475769

O=[N+]([O-])c1ccc(CN2CCN(CC(O)c3ccccc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
CCR2 P41597 1/20 0.63
ALDH1A1 P00352 2/20 0.59
IGF1R P08069 2/20 0.59
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HTR1A P08908 1/20 0.57
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.54
NR2F2 P24468 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL4483824 1.00 KDM4E (0.70) KDM4ECCR2ALDH1A1IGF1RHTT
SCHEMBL4478168 1.00 KDM4E (0.70) KDM4ECCR2ALDH1A1IGF1RHTT
SCHEMBL4477546 0.95 KDM4E (0.70) KDM4ECCR2ALDH1A1IGF1RHTT
SCHEMBL11726331 0.85 IGF1R (0.73) KDM4EALDH1A1IGF1RSMN1; SMN2TDP1
SCHEMBL297782 0.85 IGF1R (0.73) KDM4EALDH1A1IGF1RSMN1; SMN2TDP1
SCHEMBL5626457 0.83 ALDH1A1 (0.74) KDM4ECCR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4478754 0.83 KDM4E (1.00) KDM4EIGF1RHTTLMNAGAA
SCHEMBL4468044 0.83 KDM4E (1.00) KDM4EIGF1RHTTLMNAGAA
SCHEMBL4465545 0.83 KDM4E (1.00) KDM4EIGF1RHTTLMNAGAA
Hydrochloric Acid SCHEMBL4466480 0.82 KDM4E (0.97) KDM4EIGF1RHTTLMNAGAA

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-7576086-B2 N1-benzyl-N4-(phenylpropane-2-yl-3-ol)piperazine; triple action on hydroxytryptamine (5-HT), noradrenalin (NA)and dopamine(DA); on brain synapses; cytochrome P-450 monooxygenase enzyme system antagonists; enzyme inhibitors; side effect reduction SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2009-08-18 US claimed
US-20050267121-A1 Aralkyl-alcohol peiperazine derivatives adn their uses as antidepressant SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-12-01 US claimed
US-7576086-B2 N1-benzyl-N4-(phenylpropane-2-yl-3-ol)piperazine; triple action on hydroxytryptamine (5-HT), noradrenalin (NA)and dopamine(DA); on brain synapses; cytochrome P-450 monooxygenase enzyme system antagonists; enzyme inhibitors; side effect reduction SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2009-08-18 US disclosed
US-20050267121-A1 Aralkyl-alcohol peiperazine derivatives adn their uses as antidepressant SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-12-01 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-20050267121-A1 Aralkyl-alcohol peiperazine derivatives adn their uses as antidepressant AANAT, GAP43, TPH2 KDM4E 2865/4885CCR2 3624/4885ALDH1A1 328/4885

“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.