SCHEMBL5017748

SCHEMBL5017748

COc1ccc(COC[C@@H]2CCC(=O)N2Cc2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 9/20 0.45
▸ HCRTR1 O43613 8/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TRPV6 Q9H1D0 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK10 P53779 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39

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
SCHEMBL5017752 1.00 HCRTR2 (0.45) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL5023886 1.00 HCRTR2 (0.45) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL5023922 0.94 HCRTR1 (0.51) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL5023915 0.94 HCRTR1 (0.51) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL14309091 0.82 HCRTR2 (0.45) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL14285582 0.82 HCRTR2 (0.41) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL14285579 0.82 HCRTR2 (0.41) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL27939222 0.78 HCRTR1 (0.44) HCRTR2HCRTR1
SCHEMBL27939223 0.78 HCRTR1 (0.44) HCRTR2HCRTR1
SCHEMBL7504824 0.77 HCRTR2 (0.53) HCRTR2HCRTR1MEN1KMT2AALDH1A1

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-7314940-B2 For therapy and prophylaxis of neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2008-01-01 — — US disclosed
US-7314940-B2 For therapy and prophylaxis of neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2008-01-01 — — US disclosed
US-20040235864-A1 Jun kinase inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2004-11-25 — — 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-20040235864-A1 Jun kinase inhibitors NFKBIA, JUN, AIFM1 HCRTR2 1735/4885HCRTR1 1938/4885MEN1 4674/4885

“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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