SCHEMBL4477437

SCHEMBL4477437

CC(c1ccccc1)N1CCN(CC(O)c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
OPRM1 P35372 1/20 0.71
OPRD1 P41143 1/20 0.71
GAA P10253 1/20 0.69
CYP2D6 P10635 1/20 0.65
KDM4E B2RXH2 2/20 0.62
IGF1R P08069 3/20 0.61
MC4R P32245 1/20 0.57
ALDH1A1 P00352 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
PKM P14618 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
SCHEMBL4486265 1.00 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4474689 1.00 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4466517 1.00 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4468315 1.00 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL18704990 0.89 KMT2A (0.73) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL2796836 0.86 GAA (0.82) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL10746494 0.86 GAA (0.82) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4470929 0.86 IGF1R (0.57) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL20965556 0.86 KMT2A (0.69) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL24672691 0.85 GAA (0.75) KMT2AMEN1OPRM1OPRD1GAA

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 KMT2A 3071/4885MEN1 3476/4885OPRM1 127/4885

“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.