SCHEMBL255487

SCHEMBL255487

CSc1ccc2c(c1)c(C[C@H](C)N)c1n2CCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.65
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
SLC6A4 P31645 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR6 P50406 1/20 0.38
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS2 P35354 3/20 0.30
PTGS1 P23219 2/20 0.30

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
SCHEMBL905706 1.00 HTR2C (0.65) HTR2CHTR2AHTR2BSLC6A4MAOA
Fumaric Acid SCHEMBL6643180 0.91 HTR2C (0.55) HTR2CHTR2AHTR2BSLC6A4MAOA
Fumaric Acid SCHEMBL6643178 0.91 HTR2C (0.55) HTR2CHTR2AHTR2BSLC6A4MAOA
SCHEMBL15307681 0.90 HTR2C (0.52) HTR2CHTR2AHTR2BSLC6A4HTR6
SCHEMBL10249290 0.84 HTR2C (0.69) HTR2CHTR2ASLC6A4MAOASLC6A2
SCHEMBL10284675 0.82 HTR2C (0.67) HTR2CHTR6GAAMAPK1ALDH1A1
SCHEMBL6641844 0.82 HTR2C (0.67) HTR2CHTR2AHTR2BSLC6A2SLC6A3
SCHEMBL6644439 0.82 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6GAA
Hydrochloric Acid SCHEMBL6645377 0.81 HTR2C (0.66) HTR2CHTR2AHTR2BSLC6A2SLC6A3
SCHEMBL6641609 0.81 HTR2C (0.79) HTR2CHTR2AHTR2BHTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267500-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. 2013-10-10 US disclosed
US-20130267500-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. 2013-10-10 US disclosed
WO-2012030953-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO 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 (1 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-20130267500-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ADRA2C, HTR2C, HTR2A HTR2C 2/4885HTR2A 3/4885HTR2B 8/4885

“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.