SCHEMBL4483169

SCHEMBL4483169

OC(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
HTT P42858 2/20 0.65
LMNA P02545 4/20 0.64
MAPT P10636 2/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
RAB9A P51151 1/20 0.62
CYP2D6 P10635 1/20 0.58
TSHR P16473 2/20 0.57
FAAH O00519 1/20 0.57
HSD17B10 Q99714 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
SCHEMBL3693731 0.82 KDM4E (0.52) KDM4EHTTLMNACYP2D6TSHR
SCHEMBL2316901 0.82 CYP2D6 (0.82) KDM4ELMNAUSP2ALDH1A1GAA
Medibazine SCHEMBL308996 0.82 OPRD1 (0.70) KDM4ELMNAUSP2ALDH1A1GAA
Hydrochloric Acid SCHEMBL1681495 0.82 KDM4E (0.53) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL4750981 0.81 CYP2D6 (0.59) KDM4ELMNAUSP2ALDH1A1GAA
Medibazine SCHEMBL7321169 0.81 OPRD1 (0.69) KDM4EHTTLMNAMAPTUSP2
SCHEMBL108678 0.81 KDM4E (0.70) KDM4EUSP2CYP2D6TSHRHSD17B10
SCHEMBL7267761 0.80 KDM4E (0.65) KDM4EHTTLMNAALDH1A1GAA
SCHEMBL4465545 0.79 KDM4E (1.00) KDM4EHTTLMNAGAA
SCHEMBL4468044 0.79 KDM4E (1.00) KDM4EHTTLMNAGAA

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 1379/4885LMNA 1118/4885

“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.