SCHEMBL5584913

SCHEMBL5584913

COc1cccc(OC)c1C1CC[N]CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
HTR2C P28335 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADRA1A P35348 2/20 0.38
HPGD P15428 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 1/20 0.37
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9870482 0.86 ABCB1 (0.64) ABCB1HTR2CCA12CA1CA2
SCHEMBL19072578 0.80 ABCB1 (0.68) ABCB1HTR2CCA12CA1CA2
SCHEMBL577967 0.79 HTR2C (0.64) HTR2CADRA1ADRD2MAPTMAPK1
SCHEMBL5543998 0.79 PARP1 (0.42) HTR2CCA12CA1CA2CA7
SCHEMBL5584541 0.79 HTR2C (0.46) HTR2CSMN1; SMN2DRD2KDM4EALDH1A1
SCHEMBL615004 0.77 HTR2C (0.66) ABCB1HTR2C
SCHEMBL16955777 0.74 ABCB1 (0.53) ABCB1HTR2CCA12CA1CA2
SCHEMBL16577518 0.74 ABCB1 (0.57) ABCB1HTR2CCA12CA1CA2
SCHEMBL2716393 0.74 MAP3K14 (0.39) HTR2CCA1CA2CA7CA9
SCHEMBL16955775 0.73 ABCB1 (0.51) ABCB1HTR2CCA12CA1CA2

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 ABCB1 305/4885HTR2C 9/4885CA12 4877/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ABCB1 305/4885HTR2C 9/4885CA12 4877/4885

“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.