SCHEMBL17504261

SCHEMBL17504261

COc1ccc2cnn(CC(C)CBr)c2c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.71
HTR2A P28223 5/20 0.71
HTR2B P41595 3/20 0.71
CHRM2 P08172 9/20 0.56
CHRM1 P11229 9/20 0.56
HTR1A P08908 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
HTR1D P28221 1/20 0.46
HTR7 P34969 1/20 0.46
HTR4 Q13639 1/20 0.46
KMO O15229 2/20 0.42
CHRM3 P20309 5/20 0.42

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
SCHEMBL17504260 1.00 HTR2C (0.71) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL16122771 0.86 HTR2C (0.71) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL31079387 0.83 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL6364886 0.83 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL16122500 0.82 CHRM2 (0.52) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL17504350 0.82 CHRM2 (0.52) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL31079572 0.81 HTR2C (0.71) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL17504295 0.81 HTR2C (0.70) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL16122506 0.81 HTR2C (0.70) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL17504314 0.80 HTR2C (0.62) HTR2CHTR2AHTR2BCHRM2CHRM1

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-9670209-B2 Muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-20160039819-A1 MUSCARINIC AGONISTS ALLERGAN, INC. 2016-02-11 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-20160039819-A1 MUSCARINIC AGONISTS CHRM3, CHRM2, CHRM1 HTR2C 386/4885HTR2A 352/4885HTR2B 319/4885

“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.