SCHEMBL2931784

SCHEMBL2931784

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](Oc3ccc(C(=N)NO)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.51
POLB P06746 1/20 0.49
LMNA P02545 4/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2931782 1.00 HRH3 (0.51) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2929162 0.86 HRH3 (0.54) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2929160 0.86 HRH3 (0.54) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2927436 0.85 HRH3 (0.53) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2927433 0.85 HRH3 (0.53) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2928770 0.84 POLB (0.60) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2928768 0.84 POLB (0.60) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2929881 0.82 HRH3 (0.48) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2929879 0.82 HRH3 (0.48) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2925580 0.79 HRH3 (0.67) HRH3

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
EP-2158189-B1 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
US-7544683-B2 Cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US disclosed
US-20090005380-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-01 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-20090005380-A1 CYCLOHEXYL DERIVATIVES HRH3, HRH4, HCAR2 HRH3 1/4885POLB 4076/4885LMNA 2554/4885

“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.