SCHEMBL175744

SCHEMBL175744

CC1(OC(=O)CC[C@@H](N)C(=O)OC2(C)CNCCc3ccc(Cl)cc32)CNCCc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.47
HTR2C P28335 8/20 0.47
HTR2B P41595 7/20 0.34
PNMT P11086 1/20 0.33
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CNR1 P21554 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.32
KIF11 P52732 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
IDO1 P14902 1/20 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
SCHEMBL15389721 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL174028 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL173622 0.88 HTR2A (0.57) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL174565 0.88 KIF11 (0.34) HTR2AHTR2CSLC6A2SLC6A4KIF11
SCHEMBL174466 0.86 HTR2A (0.54) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL173952 0.84 HTR2A (0.57) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL28756453 0.82 HTR2A (0.56) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL171105 0.82 HTR2A (0.56) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL174234 0.77 HTR2A (0.57) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL168506 0.77 HTR2A (0.57) HTR2AHTR2CHTR2BPNMTADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151381-A1 SALTS OF LORCASERIN WITH OPTICALLY ACTIVE ACIDS ARENA PHARMACEUTICALS, INC. 2016-06-02 US disclosed
US-9248133-B2 Salts of lorcaserin with optically active acids ARENA PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-20130310369-A1 SALTS OF LORCASERIN WITH OPTICALLY ACTIVE ACIDS ARENA PHARMACEUTICALS, INC 2013-11-21 US disclosed
EP-2611782-A1 SALTS OF LORCASERIN WITH OPTICALLY ACTIVE ACIDS Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030938-A1 SALTS OF LORCASERIN WITH OPTICALLY ACTIVE ACIDS 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 (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-20160151381-A1 SALTS OF LORCASERIN WITH OPTICALLY ACTIVE ACIDS CEL, HTR7, HTR1A HTR2A 9/4885HTR2C 12/4885HTR2B 17/4885
US-20130310369-A1 SALTS OF LORCASERIN WITH OPTICALLY ACTIVE ACIDS CEL, HTR7, HTR1A HTR2A 9/4885HTR2C 12/4885HTR2B 17/4885

“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.