SCHEMBL5584932

SCHEMBL5584932

CCS(=O)(=O)c1cc2c(OC)cccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
CNR2 P34972 2/20 0.53
CYP2A6 P11509 3/20 0.50
CNR1 P21554 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MAOA P21397 2/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL10509842 0.83 CA2 (0.68) CA2CA12CA1CA9CNR2
SCHEMBL5584574 0.81 CA2 (0.53) CA2CA12CA1CA9CNR2
SCHEMBL5584659 0.78 MAOA (0.39) CA2CA12CA1CA9MAOA
SCHEMBL830646 0.75 CA12 (0.73) CA2CA12CA1CA9CNR2
SCHEMBL24236495 0.74 CYP2A6 (0.51) CA2CA12CA1CA9CNR2
SCHEMBL829548 0.73 CA12 (0.79) CA2CA12CA1CA9CNR2
SCHEMBL9296788 0.72 CYP2A6 (0.56) CA2CA12CA1CA9CNR2
SCHEMBL18184669 0.70 CA2 (0.62) CA2CA12CA1CA9CYP2A6
SCHEMBL28245389 0.70 CYP2A6 (0.54) CA2CA12CA1CA9CNR2
SCHEMBL24276015 0.70 CYP2A6 (0.54) CA2CA12CA1CA9CNR2

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 8 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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
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 CA2 2936/4885CA12 4877/4885CA1 3979/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CA2 2936/4885CA12 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.