SCHEMBL5584541

SCHEMBL5584541

COc1cccc(C2CC[N]CC2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
HTR1A P08908 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
TSHR P16473 1/20 0.41
DRD2 P14416 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLL Q9UGP5 1/20 0.38

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
SCHEMBL29639264 0.88 HTR2C (0.53) HTR2CKDM4ELMNAHTR1ASLC6A2
SCHEMBL577967 0.84 HTR2C (0.64) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14827794 0.83 HTR2C (0.49) HTR2CKDM4ETSHRDRD2TDP1
SCHEMBL8125464 0.81 HTR2C (0.47) HTR2CKDM4ELMNAHTR1ASLC6A2
SCHEMBL5584542 0.80 HTR2C (0.73) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5584913 0.79 ABCB1 (0.51) HTR2CKDM4ELMNATSHRDRD2
SCHEMBL8115840 0.76 HTR2C (0.43) HTR2CKDM4EHTR1ASLC6A2SLC6A4
SCHEMBL9820830 0.75 HTR2C (0.56) HTR2CDRD2MEN1KMT2AMAPT
SCHEMBL28610338 0.75 HTR2C (0.47) HTR2CKDM4EHTR1ASLC6A2SLC6A4
SCHEMBL27549519 0.74 HTR2C (0.41) HTR2CKDM4ELMNATSHRTDP1

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 HTR2C 9/4885KDM4E 610/4885LMNA 3559/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885KDM4E 610/4885LMNA 3559/4885

“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.