SCHEMBL233434

SCHEMBL233434

c1ccc2c(c1)cc1n2CC2(CC1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.44
HTR2C P28335 5/20 0.44
NOTUM Q6P988 1/20 0.37
TSHR P16473 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8328246 0.80 HTR2A (0.49) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL18202247 0.76 HTR2A (0.47) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL19921285 0.76 HTR2A (0.47) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL8328457 0.72 HTR2A (0.55) HTR2AHTR2CNOTUMTSHRSIGMAR1
SCHEMBL8322785 0.72 HTR2A (0.47) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL8328872 0.72 HTR2A (0.47) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL8328030 0.70 HTR2A (0.39) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL18911628 0.69 HTR2A (0.50) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL18911621 0.69 HTR2A (0.73) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL31487068 0.68 HTR2A (0.57) HTR2AHTR2CNOTUMPOLBSIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR2A 80/4885HTR2C 81/4885NOTUM 1772/4885

“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.