SCHEMBL4473753

SCHEMBL4473753

CC(C(O)c1ccccc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ATM Q13315 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SIGMAR1 Q99720 4/20 0.55
ADRA2A P08913 5/20 0.53
HTR2A P28223 5/20 0.53
ADRA1A P35348 5/20 0.53
GRIN2B Q13224 5/20 0.53
HTR2B P41595 4/20 0.53
GRIN1 Q05586 3/20 0.53
GRIN2D O15399 2/20 0.53
HTR1A P08908 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2C Q14957 2/20 0.53
LMNA P02545 1/20 0.53
ADRB1 P08588 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53

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
SCHEMBL4469097 0.92 SIGMAR1 (0.58) KDM4EATMMEN1KMT2ASIGMAR1
SCHEMBL13509120 0.83 KDM4E (0.60) KDM4EATMMEN1KMT2ASIGMAR1
SCHEMBL4479510 0.83 KDM4E (0.60) KDM4EATMMEN1KMT2ASIGMAR1
SCHEMBL25732897 0.81 KDM4E (0.66) KDM4EATMMEN1KMT2ASIGMAR1
SCHEMBL26358066 0.81 CYP2D6 (0.69) KDM4EATMMEN1KMT2ASIGMAR1
SCHEMBL16226702 0.81 CYP2D6 (0.69) KDM4EATMMEN1KMT2ASIGMAR1
SCHEMBL16226120 0.81 CYP2D6 (0.69) KDM4EATMMEN1KMT2ASIGMAR1
SCHEMBL18704989 0.80 GRIN2B (0.52) SIGMAR1ADRA2AHTR2AADRA1AGRIN2B
SCHEMBL4474085 0.79 CYP2D6 (0.71) SIGMAR1ADRA2AHTR2AADRA1AGRIN2B
SCHEMBL18390095 0.79 MC4R (0.62) SIGMAR1ADRA2AHTR2AADRA1AGRIN2B

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 2865/4885ATM 3870/4885MEN1 3476/4885

“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.