SCHEMBL5030007

SCHEMBL5030007

CCc1cnc(CNCC2CCC(C(=O)N3CCCN(CCO)CC3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
HPGD P15428 6/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5024148 0.92 HSD11B1 (0.39) HSD11B1HPGDHTTMAPTL3MBTL1
SCHEMBL5025785 0.88 SIGMAR1 (0.38) HSD11B1HPGDALDH1A1HTTMAPT
SCHEMBL5030010 0.82 HTT (0.40) HSD11B1ALDH1A1HTTMAPTL3MBTL1
SCHEMBL5030014 0.82 HTT (0.40) HSD11B1ALDH1A1HTTMAPTL3MBTL1
SCHEMBL5024160 0.81 HTT (0.36) HSD11B1HPGDHTTMAPTMEN1
SCHEMBL5024156 0.81 HTT (0.36) HSD11B1HPGDHTTMAPTMEN1
SCHEMBL5028545 0.80 EPHX2 (0.38) HSD11B1ALDH1A1HTTTSHRMEN1
SCHEMBL5024131 0.80 HSD11B1 (0.36) HSD11B1HTTMEN1KMT2ASIGMAR1
SCHEMBL5024050 0.76 HTT (0.53) HPGDALDH1A1HTTMAPTTSHR
SCHEMBL5025524 0.76 KMT2A (0.43) ALDH1A1MEN1KMT2ACYP2C9

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 4 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 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 HSD11B1 57/4885HPGD 548/4885ALDH1A1 2099/4885

“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.