SCHEMBL2924554

SCHEMBL2924554

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](Oc3ccc(-c4ccccn4)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
TRPV4 Q9HBA0 1/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 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
SCHEMBL2924552 1.00 HRH3 (0.47) HRH3TRPV4ABL1BCRLMNA
SCHEMBL2930661 0.88 HRH3 (0.46) HRH3ABL1LMNAMAPTALDH1A1
SCHEMBL2930662 0.88 HRH3 (0.46) HRH3ABL1LMNAMAPTALDH1A1
SCHEMBL2924560 0.84 HRH3 (0.48) HRH3LMNAMAPTPOLB
SCHEMBL2924564 0.84 HRH3 (0.48) HRH3LMNAMAPTPOLB
SCHEMBL2923192 0.83 WNT1 (0.44) HRH3ABL1BCRLMNAALDH1A1
SCHEMBL2923194 0.83 WNT1 (0.44) HRH3ABL1BCRLMNAALDH1A1
SCHEMBL2930104 0.81 HRH3 (0.57) HRH3ABL1BCRLMNAMAPT
SCHEMBL2930563 0.81 LMNA (0.47) HRH3LMNAMAPTPOLB
SCHEMBL3642997 0.81 TBK1 (0.42) HRH3LMNAMAPTALDH1A1KDM4E

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 1/4885TRPV4 391/4885ABL1 1157/4885

“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.