SCHEMBL1967143

SCHEMBL1967143

CN(CCc1ccccc1)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 6/20 0.63
▸ SLC18A3 Q16572 2/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.54
▸ CHIA Q9BZP6 1/20 0.53
▸ AOC3 Q16853 1/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ ADRA2B P18089 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ HRH2 P25021 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ HTR7 P34969 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ OPRM1 P35372 2/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ GRIN1 Q05586 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ OPRD1 P41143 1/20 0.49

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
SCHEMBL27820511 0.92 SLC18A3 (0.64) GRIN2BSLC18A3TAAR1SIGMAR1CHIA
SCHEMBL2839407 0.91 SLC18A3 (0.62) GRIN2BSLC18A3TAAR1SIGMAR1CHIA
SCHEMBL3581153 0.88 GRIN2B (0.56) GRIN2BSLC18A3TAAR1SIGMAR1CHIA
SCHEMBL2056178 0.86 GRIN2B (0.58) GRIN2BSLC18A3SIGMAR1CHIAKDM4E
SCHEMBL22878119 0.85 CHIA (0.55) GRIN2BSLC18A3TAAR1SIGMAR1CHIA
SCHEMBL17284222 0.85 CHIA (0.58) GRIN2BSLC18A3TAAR1SIGMAR1CHIA
SCHEMBL7471631 0.84 OPRM1 (0.62) GRIN2BSIGMAR1CHIADRD2HTR2A
SCHEMBL1967611 0.82 CHIA (0.54) GRIN2BSLC18A3TAAR1SIGMAR1CHIA
SCHEMBL1968987 0.82 CHIA (0.54) GRIN2BSLC18A3TAAR1SIGMAR1CHIA
SCHEMBL17281931 0.82 CHIA (0.53) GRIN2BSLC18A3TAAR1SIGMAR1CHIA

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 3 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
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 — — EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 — — WO 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 GRIN2B 223/4885SLC18A3 456/4885TAAR1 48/4885

“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.

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