SCHEMBL14552003

SCHEMBL14552003

OC1CNCCc2ccc(Br)cc21

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.69
HTR2C P28335 13/20 0.69
HTR2B P41595 12/20 0.69
PNMT P11086 1/20 0.50
ASIC3 Q9UHC3 1/20 0.50
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CNR1 P21554 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
DRD1 P21728 3/20 0.42
DRD2 P14416 2/20 0.42
DRD5 P21918 1/20 0.40

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
SCHEMBL15779152 0.83 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTASIC3
SCHEMBL1095595 0.81 HTR2C (1.00) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL1095893 0.81 HTR2C (1.00) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL1095465 0.81 HTR2C (1.00) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL1097095 0.80 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL1095854 0.80 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL1095853 0.80 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL22482807 0.80 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTASIC3
Hydrochloric Acid SCHEMBL22469583 0.79 HTR2A (0.67) HTR2AHTR2CHTR2BPNMTASIC3
Hydrochloric Acid SCHEMBL22469889 0.79 HTR2A (0.67) HTR2AHTR2CHTR2BPNMTASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012498-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-01-10 US disclosed
US-20130012498-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-01-10 US 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-20130012498-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 7/4885

“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.