SCHEMBL2925949

SCHEMBL2925949

CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(C(F)(F)F)nc3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.62
LIPE Q05469 1/20 0.52
P2RX3 P56373 1/20 0.43
P2RX2 Q9UBL9 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CA P42336 1/20 0.42
PKM P14618 1/20 0.42
PIK3R1 P27986 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL2925951 1.00 HRH3 (0.62) HRH3LIPEP2RX3P2RX2PIK3CD
SCHEMBL2929528 0.82 HRH3 (0.48) HRH3LMNAMAPTKMT2AGPR119
SCHEMBL2929527 0.82 HRH3 (0.48) HRH3LMNAMAPTKMT2AGPR119
SCHEMBL5450405 0.80 HRH3 (0.63) HRH3PIK3CDPIK3R1
SCHEMBL3327460 0.80 HRH3 (0.63) HRH3PIK3CDPIK3R1
SCHEMBL3327454 0.80 HRH3 (0.63) HRH3PIK3CDPIK3R1
SCHEMBL2924533 0.80 HRH3 (0.57) HRH3LIPE
SCHEMBL2924536 0.80 HRH3 (0.57) HRH3LIPE
SCHEMBL3859666 0.80 HRH3 (0.92) HRH3
SCHEMBL2929879 0.79 HRH3 (0.48) HRH3LMNAMAPTKMT2A

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 1/4885LIPE 3714/4885P2RX3 326/4885

“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.