SCHEMBL5584733

SCHEMBL5584733

Cc1cccc(C2CC[N]CC2)c1C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.62
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
GRM7 Q14831 1/20 0.38
HTR6 P50406 2/20 0.37
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
MGLL Q99685 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL16956125 0.86 HTR2C (0.74) HTR2CHTR2AHTR2BGRM7HTR6
SCHEMBL3208274 0.84 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1ASLC6A2
SCHEMBL6386133 0.82 HTR2C (0.69) HTR2CHTR2AHTR2BGRM7HTR6
SCHEMBL30603834 0.80 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6HTR1A
SCHEMBL1128139 0.80 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6HTR1A
SCHEMBL2716393 0.78 MAP3K14 (0.39) HTR2CHTR2AHTR2BTRPA1
SCHEMBL4002004 0.77 HTR2C (0.62) HTR2CHTR2AHTR2BGRM7HTR6
SCHEMBL5584737 0.77 HTR2C (1.00) HTR2CHTR6HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL21855666 0.76 HTR2C (1.00) HTR2CHTR6HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL31109384 0.76 HTR2C (1.00) HTR2CHTR6HTR1ASLC6A2SLC6A4

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 9/4885HTR2A 11/4885HTR2B 16/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885HTR2A 11/4885HTR2B 16/4885

“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.