SCHEMBL5026523

SCHEMBL5026523

CCCCNC(=O)OCCN1CCCN(C(=O)C2CCC(CCNCc3ncc(Br)cn3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
FPR3 P25089 5/20 0.34
FPR2 P25090 5/20 0.34
HRH4 Q9H3N8 4/20 0.34
HRH3 Q9Y5N1 4/20 0.34
PKM P14618 1/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34

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
SCHEMBL5026528 0.87 HRH2 (0.38) HRH2HRH1POLBHPGDFPR3
SCHEMBL5026533 0.87 HRH2 (0.38) HRH2HRH1POLBHPGDFPR3
SCHEMBL5024131 0.83 HSD11B1 (0.36) FPR3FPR2TUBB4ATUBBTUBA3C
SCHEMBL5025545 0.80 HTT (0.50) POLBHPGDHSD11B1HTTMMP9
SCHEMBL5024148 0.77 HSD11B1 (0.39) HRH2HRH1POLBHPGDPKM
SCHEMBL5025785 0.75 SIGMAR1 (0.38) HPGDHSD11B1MEN1HTTKMT2A
SCHEMBL5028545 0.74 EPHX2 (0.38) HSD11B1MEN1HTTKMT2A
SCHEMBL5024050 0.72 HTT (0.53) POLBHPGDMEN1HTTKMT2A
SCHEMBL5025568 0.71 HTT (0.50) POLBHPGDHSD11B1MEN1HTT
SCHEMBL5024109 0.69 CHRM4 (0.39) POLBMEN1KMT2A

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 HRH2 477/4885HRH1 741/4885POLB 3663/4885

“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.