SCHEMBL5024148

SCHEMBL5024148

CCc1cnc(CNCCC2CCC(C(=O)N3CCCN(CCO)CC3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
CNR2 P34972 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33

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
SCHEMBL5030007 0.92 HSD11B1 (0.39) HSD11B1MAPTHTTSIGMAR1L3MBTL1
SCHEMBL5024131 0.89 HSD11B1 (0.36) HSD11B1HTTSIGMAR1CNR2SMYD3
SCHEMBL5028545 0.89 EPHX2 (0.38) HSD11B1HTTSIGMAR1L3MBTL1TP53
SCHEMBL5024156 0.82 HTT (0.36) HSD11B1MAPTHTTSIGMAR1L3MBTL1
SCHEMBL5024160 0.82 HTT (0.36) HSD11B1MAPTHTTSIGMAR1L3MBTL1
SCHEMBL5030014 0.80 HTT (0.40) HSD11B1MAPTHTTSIGMAR1L3MBTL1
SCHEMBL5030010 0.80 HTT (0.40) HSD11B1MAPTHTTSIGMAR1L3MBTL1
SCHEMBL5025785 0.80 SIGMAR1 (0.38) HSD11B1MAPTHTTSIGMAR1CNR2
SCHEMBL5025545 0.78 HTT (0.50) HSD11B1HTTSIGMAR1CNR2TP53
SCHEMBL5025568 0.78 HTT (0.50) HSD11B1HTTSIGMAR1TP53POLB

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 2 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
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 57/4885MAPT 4552/4885HTT 3816/4885

“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.