SCHEMBL5584331

SCHEMBL5584331

COc1ccc(C2=CC[N]CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CLK4 Q9HAZ1 1/20 0.40
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
APP P05067 1/20 0.38
SCN2A Q99250 1/20 0.38
HPGD P15428 2/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL5584786 0.87 NISCH (0.48) NISCHRAB9ANPC1
SCHEMBL5584232 0.84 CYP1B1 (0.40) KDM4ETP53MAPTALDH1A1RAB9A
SCHEMBL3540753 0.82 NISCH (0.47) NISCHCLK4KDM4ETP53ALDH1A1
SCHEMBL5585401 0.80 PDE4B (0.46) KDM4EALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL8826016 0.79 NISCH (0.45) NISCHCA1CA2RAB9ANPC1
SCHEMBL5585114 0.79 NISCH (0.37) NISCHKDM4ETP53MAPTALDH1A1
SCHEMBL2302066 0.77 NISCH (0.46) NISCHSCN2A
SCHEMBL3537029 0.77 KDM4E (0.37) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL3541253 0.77 ABL1 (0.36) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL2253193 0.76 MAPK14 (0.38) KDM4EMAPTALDH1A1LMNARAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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 (2 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NISCH 3392/4885CA12 4877/4885CA1 3979/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NISCH 3392/4885CA12 4877/4885CA1 3979/4885

“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.