SCHEMBL4474652

SCHEMBL4474652

OC(CN1CCN(Cc2cccnc2)CC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.74
IGF1R P08069 1/20 0.61
HTT P42858 1/20 0.60
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
TRPV6 Q9H1D0 2/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
TDP1 Q9NUW8 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
SCHEMBL4478754 0.85 KDM4E (1.00) KDM4EIGF1RHTTGAAMEN1
SCHEMBL4468044 0.85 KDM4E (1.00) KDM4EIGF1RHTTGAAMEN1
SCHEMBL4465545 0.85 KDM4E (1.00) KDM4EIGF1RHTTGAAMEN1
Hydrochloric Acid SCHEMBL4466480 0.84 KDM4E (0.97) KDM4EIGF1RHTTGAAMEN1
Hydrochloric Acid SCHEMBL3838694 0.84 KDM4E (0.97) KDM4EIGF1RHTTGAAMEN1
SCHEMBL15800693 0.82 CHRNB2 (0.77) KDM4ECHRNB2CHRNA4ALDH1A1TRPV6
SCHEMBL4164304 0.82 KDM4E (0.55) KDM4EGAAMEN1KMT2AOPRM1
SCHEMBL28760185 0.81 ATM (0.63) KDM4ECHRNB2CHRNA4ALDH1A1TRPV6
SCHEMBL4168247 0.81 KDM4E (0.63) KDM4EIGF1RHTTALDH1A1MEN1
Bromide SCHEMBL4173363 0.81 KDM4E (0.53) KDM4EGAAMEN1KMT2AOPRM1

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 2865/4885IGF1R 3820/4885HTT 1379/4885

“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.