SCHEMBL4601805

SCHEMBL4601805

Cc1ccc2c(CC(N)CO)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.57
ADRB3 P13945 1/20 0.48
NR3C1 P04150 2/20 0.48
SCN9A Q15858 1/20 0.48
PCSK9 Q8NBP7 1/20 0.48
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
ADRB1 P08588 1/20 0.48
ADRA2A P08913 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1E P28566 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL5150887 1.00 HTR2A (0.57) HTR2AADRB3NR3C1SCN9APCSK9
SCHEMBL5155794 1.00 HTR2A (0.57) HTR2AADRB3NR3C1SCN9APCSK9
SCHEMBL1177374 0.88 HTR2A (0.57) HTR2ASCN9APCSK9HTR1AHTR1D
SCHEMBL25910591 0.88 HTR2A (0.57) HTR2ASCN9APCSK9HTR1AHTR1D
SCHEMBL5151410 0.88 HTR2A (0.57) HTR2ASCN9APCSK9HTR1AHTR1D
SCHEMBL24913225 0.84 HTR2A (0.66) HTR2ANR3C1HTR1AHTR1DHTR1B
SCHEMBL27220697 0.84 HTR2A (0.66) HTR2ANR3C1HTR1AHTR1DHTR1B
SCHEMBL4640375 0.82 GPR84 (0.59) HTR2ANR3C1SCN9AHTR1AHTR1D
SCHEMBL24178281 0.82 GPR84 (0.59) HTR2ANR3C1SCN9AHTR1AHTR1D
SCHEMBL5149322 0.82 GPR84 (0.59) HTR2AADRB3SCN9AHTR1AHTR1D

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
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R HTR2A 11/4885ADRB3 114/4885NR3C1 1123/4885

“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.