SCHEMBL4470396

SCHEMBL4470396

COc1cccc(CN2CCN(CC(O)c3ccccc3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.71
KDM4E B2RXH2 6/20 0.68
IGF1R P08069 2/20 0.58
FAAH O00519 1/20 0.57
ALDH1A1 P00352 4/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
ATM Q13315 1/20 0.55
GAA P10253 2/20 0.55
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
SCHEMBL4463896 0.86 KDM4E (0.74) SIGMAR1KDM4EIGF1RALDH1A1HTT
SCHEMBL4471613 0.86 KDM4E (0.74) SIGMAR1KDM4EIGF1RFAAHALDH1A1
SCHEMBL4474183 0.86 KDM4E (0.74) SIGMAR1KDM4EIGF1RFAAHALDH1A1
SCHEMBL4471401 0.86 KDM4E (0.74) SIGMAR1KDM4EIGF1RFAAHALDH1A1
SCHEMBL4478754 0.82 KDM4E (1.00) SIGMAR1KDM4EIGF1RHTTMEN1
SCHEMBL4465545 0.82 KDM4E (1.00) SIGMAR1KDM4EIGF1RHTTMEN1
SCHEMBL4468044 0.82 KDM4E (1.00) SIGMAR1KDM4EIGF1RHTTMEN1
SCHEMBL28186295 0.82 SIGMAR1 (0.90) SIGMAR1KDM4EFAAHALDH1A1HTT
SCHEMBL20804357 0.82 SIGMAR1 (0.90) SIGMAR1KDM4EFAAHALDH1A1HTT
Hydrochloric Acid SCHEMBL4466480 0.81 KDM4E (0.97) SIGMAR1KDM4EIGF1RHTTMEN1

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 2 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 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 SIGMAR1 805/4885KDM4E 2865/4885IGF1R 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.