SCHEMBL2403247

SCHEMBL2403247

CN(CCc1ccc2c(c1)OCCO2)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
CHI3L1 P36222 1/20 0.43
CHIT1 Q13231 1/20 0.43
CHI3L2 Q15782 1/20 0.43
CHIA Q9BZP6 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL21674280 0.81 SIGMAR1 (0.61) SIGMAR1TAAR1
SCHEMBL1967415 0.78 KDM4E (0.43) SIGMAR1CHI3L1CHIT1CHI3L2CHIA
SCHEMBL619732 0.75 SLC6A2 (0.50)
SCHEMBL1970890 0.74 CHIT1 (0.47) SIGMAR1CHI3L1CHIT1CHI3L2CHIA
SCHEMBL8828505 0.74 TAAR1 (0.50) SIGMAR1TAAR1
SCHEMBL8255914 0.73 TAAR1 (0.52) TAAR1
SCHEMBL2406397 0.72 SIGMAR1 (0.55) SIGMAR1
SCHEMBL30101707 0.72 TAAR1 (0.61) SIGMAR1TAAR1
SCHEMBL25519810 0.72 TAAR1 (0.61) SIGMAR1TAAR1
SCHEMBL1967604 0.72 SIGMAR1 (0.60) SIGMAR1

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 SIGMAR1 108/4885CHI3L1 2780/4885CHIT1 4004/4885

“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.