SCHEMBL5584969

SCHEMBL5584969

COc1cc(OC)cc(C2CC[N]CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTR2C P28335 2/20 0.42
DRD2 P14416 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A1 P04798 3/20 0.35
CYP1B1 Q16678 3/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STAT1 P42224 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1613815 0.85 ALDH1A1 (0.55) ALDH1A1HTR2CDRD2TSHRCYP1A1
SCHEMBL12297790 0.83 HTR2C (0.50) ALDH1A1HTR2CDRD2TSHRCYP1A1
SCHEMBL1366191 0.82 HTR2C (0.66) HTR2CDRD2
SCHEMBL17514730 0.81 ALDH1A1 (0.50) ALDH1A1HTR2CDRD2TSHRCYP1A1
SCHEMBL20789976 0.81 ALDH1A1 (0.50) ALDH1A1HTR2CDRD2TSHRCYP1A1
SCHEMBL240094 0.80 DRD2 (0.51) ALDH1A1DRD2MAPTSMN1; SMN2MEN1
SCHEMBL7723674 0.79 ALDH1A1 (0.48) ALDH1A1HTR2CDRD2TSHRCYP1A1
SCHEMBL1363978 0.77 PTAFR (0.33) ALDH1A1HTR2CTSHRMAPT
SCHEMBL5584986 0.77 PTAFR (0.53) ALDH1A1TSHRKDM4EMAPTMEN1
SCHEMBL5543998 0.77 PARP1 (0.42) ALDH1A1HTR2CKDM4EMAPTSMN1; SMN2

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 ALDH1A1 443/4885HTR2C 9/4885DRD2 62/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885HTR2C 9/4885DRD2 62/4885

“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.