SCHEMBL5025573

SCHEMBL5025573

CN1CCCN(C(=O)C2CCC(CCN(C)c3ncc(Cl)cn3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.47
LSS P48449 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
TP53 P04637 1/20 0.38
IDE P14735 1/20 0.35
BTK Q06187 1/20 0.35
CCR4 P51679 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5025571 1.00 HTT (0.51) HTTLMNALSSSMN1; SMN2HSD11B1
SCHEMBL5025549 0.90 HTT (0.51) HTTLMNALSSSMN1; SMN2HSD11B1
SCHEMBL5025546 0.90 HTT (0.51) HTTLMNALSSSMN1; SMN2HSD11B1
SCHEMBL5028549 0.88 LSS (0.42) HTTLMNALSSHSD11B1TP53
SCHEMBL5028551 0.88 LSS (0.42) HTTLMNALSSHSD11B1TP53
SCHEMBL5026629 0.82 HTT (0.45) HTTLMNALSSSMN1; SMN2HPGD
SCHEMBL5026626 0.82 HTT (0.45) HTTLMNALSSSMN1; SMN2HPGD
SCHEMBL5025568 0.80 HTT (0.50) HTTLMNALSSSMN1; SMN2HSD11B1
SCHEMBL5024054 0.80 HTT (0.54) HTTLMNASMN1; SMN2HSD11B1KMT2A
SCHEMBL5024052 0.80 HTT (0.54) HTTLMNASMN1; SMN2HSD11B1KMT2A

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
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US claimed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 US claimed
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP disclosed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives LSS, CYP51A1, CYP46A1 HTT 3816/4885LMNA 1652/4885LSS 1/4885

“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.