SCHEMBL4477546

SCHEMBL4477546

O=[N+]([O-])c1ccc(C(O)CN2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
IGF1R P08069 2/20 0.66
HTT P42858 1/20 0.64
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CCR2 P41597 1/20 0.57
HTR2A P28223 1/20 0.55
HTR1A P08908 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52

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
SCHEMBL4475769 0.95 KDM4E (0.70) KDM4EIGF1RHTTALDH1A1LMNA
SCHEMBL4478168 0.95 KDM4E (0.70) KDM4EIGF1RHTTALDH1A1LMNA
SCHEMBL4483824 0.95 KDM4E (0.70) KDM4EIGF1RHTTALDH1A1LMNA
SCHEMBL297782 0.88 IGF1R (0.73) KDM4EIGF1RALDH1A1SMN1; SMN2TDP1
SCHEMBL11726331 0.88 IGF1R (0.73) KDM4EIGF1RALDH1A1SMN1; SMN2TDP1
SCHEMBL5626457 0.83 ALDH1A1 (0.74) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4465545 0.83 KDM4E (1.00) KDM4EIGF1RHTTLMNAADRB2
SCHEMBL4468044 0.83 KDM4E (1.00) KDM4EIGF1RHTTLMNAADRB2
SCHEMBL4478754 0.83 KDM4E (1.00) KDM4EIGF1RHTTLMNAADRB2
Hydrochloric Acid SCHEMBL4466480 0.82 KDM4E (0.97) KDM4EIGF1RHTTLMNAADRB2

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 8 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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
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 (4 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KDM4E 1755/4885IGF1R 3565/4885HTT 3738/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 KDM4E 1755/4885IGF1R 3565/4885HTT 3738/4885
US-20050267121-A1 Aralkyl-alcohol peiperazine derivatives adn their uses as antidepressant AANAT, GAP43, TPH2 KDM4E 2865/4885IGF1R 3820/4885HTT 1379/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KDM4E 1755/4885IGF1R 3565/4885HTT 3738/4885

“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.