SCHEMBL13616552

SCHEMBL13616552

Cc1ccc2c(c1)CNC[C@@H]2C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.46
HTR2A P28223 10/20 0.46
HTR2B P41595 9/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CNR1 P21554 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL13630335 1.00 HTR2C (0.46) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL12279878 0.85 HTR2C (0.47) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL9288127 0.82 HTR2C (0.69) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL12280030 0.80 CHRNB2 (0.43) HTR2CCHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL31597697 0.80 HTR2C (0.58) HTR2CHTR2AHTR2BCA1CA2
SCHEMBL12279234 0.80 HTR2C (0.58) HTR2CHTR2AHTR2BCA1CA2
Hydrochloric Acid SCHEMBL23538187 0.79 HTR2C (0.57) HTR2CHTR2AHTR2BCA1CA2
Hydrochloric Acid SCHEMBL29950615 0.79 HTR2C (0.57) HTR2CHTR2AHTR2BCA1CA2
SCHEMBL6491638 0.77 HTR2C (0.72) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL14549122 0.76 HTR2C (0.42) HTR2CHTR2AHTR2BCHRNB2CHRNA4

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-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 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 (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-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX HTR2C 743/4885HTR2A 928/4885HTR2B 1114/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX HTR2C 743/4885HTR2A 928/4885HTR2B 1114/4885

“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.