SCHEMBL5584599

SCHEMBL5584599

Cc1cc(C)cc(C2CC[N]CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
SSTR2 P30874 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL16954865 0.83 HTR2C (0.43) HTR2CALDH1A1TSHR
SCHEMBL5546639 0.80 HTR2A (0.30) HTR2C
SCHEMBL16957971 0.80 HTR2C (0.45) HTR2CALDH1A1TSHR
SCHEMBL5584241 0.79 HTR2C (0.62) HTR2CTSHR
SCHEMBL32679683 0.78 NR1I2 (0.41) HTR2CALDH1A1TSHR
SCHEMBL3970629 0.77 SLC18A3 (0.43) HTR2CALDH1A1
SCHEMBL27753874 0.76 NR1I2 (0.44) HTR2CALDH1A1
SCHEMBL27774514 0.76 NR1I2 (0.44) HTR2CALDH1A1
SCHEMBL27753875 0.76 NR1I2 (0.44) HTR2CALDH1A1
SCHEMBL2696735 0.76 NR1I2 (0.44) HTR2CALDH1A1

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 9/4885SSTR2 430/4885ALDH1A1 443/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885SSTR2 430/4885ALDH1A1 443/4885

“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.