SCHEMBL4470942

SCHEMBL4470942

OC(CN1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.86
HTT P42858 1/20 0.86
IGF1R P08069 1/20 0.66
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ATM Q13315 1/20 0.61
GAA P10253 1/20 0.59
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54
BLM P54132 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 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
SCHEMBL4468044 0.89 KDM4E (1.00) KDM4EHTTIGF1RMEN1KMT2A
SCHEMBL4465545 0.89 KDM4E (1.00) KDM4EHTTIGF1RMEN1KMT2A
SCHEMBL4478754 0.89 KDM4E (1.00) KDM4EHTTIGF1RMEN1KMT2A
Hydrochloric Acid SCHEMBL3838694 0.88 KDM4E (0.97) KDM4EHTTIGF1RMEN1KMT2A
Hydrochloric Acid SCHEMBL4466480 0.88 KDM4E (0.97) KDM4EHTTIGF1RMEN1KMT2A
SCHEMBL4465158 0.87 KDM4E (0.75) KDM4EHTTIGF1RGAAGMNN
SCHEMBL4474175 0.87 KDM4E (0.82) KDM4EHTTIGF1RMEN1KMT2A
SCHEMBL4467411 0.85 KDM4E (0.80) KDM4EHTTIGF1RMEN1KMT2A
SCHEMBL4168247 0.84 KDM4E (0.63) KDM4EHTTIGF1RMEN1KMT2A
Bromide SCHEMBL4163291 0.83 KDM4E (0.62) KDM4EHTTIGF1RMEN1KMT2A

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 2865/4885HTT 1379/4885IGF1R 3820/4885

“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.