SCHEMBL3557068

SCHEMBL3557068

COc1cccc2c1C(=O)N1CCN(Cc3ccccc3)CC1C2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
ACHE P22303 1/20 0.49
DRD2 P14416 1/20 0.47
HTR1A P08908 2/20 0.45
BCHE P06276 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3557066 1.00 HTR2A (0.56) HTR2AHTR2CHTR2BACHEDRD2
Trifluoroacetic Acid SCHEMBL3550913 0.92 HTR2A (0.49) HTR2AHTR2CHTR2BACHEDRD2
SCHEMBL3560321 0.85 HTR2A (0.54) HTR2AHTR2CHTR2BDRD2
SCHEMBL3560318 0.85 HTR2A (0.54) HTR2AHTR2CHTR2BDRD2
SCHEMBL3553758 0.84 HTR2A (0.55) HTR2AHTR2CHTR2BDRD2HTR1A
SCHEMBL3553756 0.84 HTR2A (0.55) HTR2AHTR2CHTR2BDRD2HTR1A
SCHEMBL3565220 0.83 DRD2 (0.50) HTR2AHTR2CHTR2BDRD2HTR1A
SCHEMBL3565223 0.83 DRD2 (0.50) HTR2AHTR2CHTR2BDRD2HTR1A
SCHEMBL3557100 0.81 DRD2 (0.48) HTR2AHTR2CHTR2BDRD2HTR1A
SCHEMBL3557457 0.81 CHRM4 (0.43) HTR2AHTR2CHTR2BACHE

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
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A HTR2A 3/4885HTR2C 5/4885HTR2B 4/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTR2A 4/4885HTR2C 6/4885HTR2B 3/4885

“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.