SCHEMBL2924564

SCHEMBL2924564

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](Oc3ccc(-c4ccncc4)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.48
NAMPT P43490 4/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.44
PAX8 Q06710 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP4K4 O95819 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2924560 1.00 HRH3 (0.48) HRH3NAMPTLMNAPOLBPAX8
SCHEMBL2923194 0.89 WNT1 (0.44) HRH3NAMPTLMNAPOLBMAP4K4
SCHEMBL2923192 0.89 WNT1 (0.44) HRH3NAMPTLMNAPOLBMAP4K4
SCHEMBL2930662 0.86 HRH3 (0.46) HRH3NAMPTLMNAPOLBMAPT
SCHEMBL2930661 0.86 HRH3 (0.46) HRH3NAMPTLMNAPOLBMAPT
SCHEMBL2924552 0.84 HRH3 (0.47) HRH3LMNAPOLBMAPT
SCHEMBL2924554 0.84 HRH3 (0.47) HRH3LMNAPOLBMAPT
SCHEMBL2929879 0.84 HRH3 (0.48) HRH3LMNAPOLBMAPTKMT2A
SCHEMBL2929881 0.84 HRH3 (0.48) HRH3LMNAPOLBMAPTKMT2A
SCHEMBL2930104 0.83 HRH3 (0.57) HRH3NAMPTLMNAPOLBMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158189-B1 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
US-7544683-B2 Cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US claimed
US-20090005380-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-01 US claimed
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 1/4885NAMPT 2220/4885LMNA 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.