SCHEMBL2408117

SCHEMBL2408117

Cc1ccccc1CC(=O)N(C)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.52
▸ CHRM1 P11229 1/20 0.48
▸ CCR5 P51681 6/20 0.47
▸ CTBP2 P56545 1/20 0.44
▸ SIGMAR1 Q99720 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL2405758 0.81 KMT2A (0.41) KMT2ACHRM1CCR5SIGMAR1ALDH1A1
SCHEMBL2404975 0.81 KMT2A (0.41) KMT2ACHRM1CCR5ALDH1A1NPC1
SCHEMBL2404021 0.80 SIGMAR1 (0.62) KMT2ACCR5SIGMAR1
SCHEMBL7120048 0.79 CTBP2 (0.51) KMT2ACTBP2ALDH1A1MAPTNPC1
SCHEMBL13434079 0.78 CCR5 (0.63) CHRM1CCR5SIGMAR1KCNH2
SCHEMBL23761932 0.77 CCR5 (0.65) KMT2ACHRM1CCR5SIGMAR1ALDH1A1
SCHEMBL2405195 0.77 HTR2A (0.47) KMT2ACHRM1ALDH1A1MAPT
SCHEMBL6926430 0.76 KMT2A (0.48) KMT2ACHRM1CCR5SIGMAR1ALDH1A1
SCHEMBL13478880 0.75 ALDH1A1 (0.58) KMT2ACCR5ALDH1A1KCNH2
SCHEMBL2407533 0.73 KCNH2 (0.49) KMT2ACCR5SIGMAR1KCNH2NPC1

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KMT2A 253/4885CHRM1 152/4885CCR5 2055/4885

“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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