SCHEMBL4289135

SCHEMBL4289135

Oc1cccc(C2[C]c3ccccc3CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL1634692 0.82 CYP11B2 (0.41)
SCHEMBL10596489 0.80 ESR1 (0.40) DRD2ESR1ESR2
SCHEMBL4282799 0.78 HSD11B1 (0.36)
SCHEMBL4283465 0.75 MEN1 (0.45) MEN1KMT2A
SCHEMBL9580351 0.73 ESR2 (0.46) DRD2ESR1ESR2
SCHEMBL5591941 0.70 HTR2C (0.38) HTR2AHTR2CHTR2B
SCHEMBL4931080 0.68 CYP1A2 (0.40) DRD2
SCHEMBL1383876 0.68 ANPEP (0.39)
SCHEMBL5715615 0.67 POLB (0.38) KMT2A
SCHEMBL1542441 0.67 ESR1 (0.57) DRD2ESR1ESR2

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-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 DRD2 4667/4885CHRNB4 1593/4885CHRNA3 1874/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 DRD2 4679/4885CHRNB4 1538/4885CHRNA3 1841/4885

“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.