SCHEMBL4465545

SCHEMBL4465545

O[C@H](CN1CCN(Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
IGF1R P08069 2/20 0.80
HTT P42858 1/20 0.78
GAA P10253 2/20 0.68
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
OPRM1 P35372 1/20 0.66
OPRD1 P41143 1/20 0.66
SIGMAR1 Q99720 1/20 0.62
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
ADRB3 P13945 1/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
GRIN2B Q13224 1/20 0.58
ATM Q13315 1/20 0.56
LMNA P02545 1/20 0.56

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 1.00 KDM4E (1.00) KDM4EIGF1RHTTGAAMEN1
SCHEMBL4468044 1.00 KDM4E (1.00) KDM4EIGF1RHTTGAAMEN1
Hydrochloric Acid SCHEMBL3838694 0.98 KDM4E (0.97) KDM4EIGF1RHTTGAAMEN1
Hydrochloric Acid SCHEMBL4466480 0.98 KDM4E (0.97) KDM4EIGF1RHTTGAAMEN1
SCHEMBL4474175 0.91 KDM4E (0.82) KDM4EIGF1RHTTGAAMEN1
SCHEMBL4472409 0.91 KDM4E (0.82) KDM4EIGF1RHTTGAAMEN1
SCHEMBL4470942 0.89 KDM4E (0.86) KDM4EIGF1RHTTGAAMEN1
SCHEMBL4467411 0.89 KDM4E (0.80) KDM4EIGF1RHTTGAAMEN1
SCHEMBL10746494 0.89 GAA (0.82) KDM4EIGF1RHTTGAAMEN1
SCHEMBL2796836 0.89 GAA (0.82) KDM4EIGF1RHTTGAAMEN1

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.