SCHEMBL7620342

SCHEMBL7620342

CC(C)(C)OC(=O)N1CCCN(c2nc3ccccc3n2CC2CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OGFRL1 Q5TC84 2/20 0.51
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
PDE10A Q9Y233 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45
OPRK1 P41145 1/20 0.45
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7628660 0.88 ALDH1A1 (0.56) OPRM1OPRD1OGFRL1ALDH1A1NPSR1
SCHEMBL7626135 0.87 ALDH1A1 (0.50) OPRM1OPRD1OGFRL1ALDH1A1NPSR1
SCHEMBL6595306 0.86 ALDH1A1 (0.57) OPRM1OPRD1OGFRL1ALDH1A1NPSR1
SCHEMBL7626255 0.85 ALDH1A1 (0.51) OPRM1OPRD1OGFRL1ALDH1A1NPSR1
SCHEMBL6596284 0.85 HTR3A (0.53) OPRM1OPRD1OGFRL1ALDH1A1NPSR1
SCHEMBL7627768 0.85 ALDH1A1 (0.55) OPRM1OPRD1OGFRL1ALDH1A1NPSR1
SCHEMBL6592173 0.84 ALDH1A1 (0.59) ALDH1A1NPSR1POLB
SCHEMBL7487632 0.83 ALDH1A1 (0.53) OPRM1OPRD1OGFRL1ALDH1A1NPSR1
SCHEMBL6595962 0.82 HTR3A (0.56) KCNH2
SCHEMBL6595821 0.82 ALDH1A1 (0.52) OPRM1OPRD1OGFRL1ALDH1A1NPSR1

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-6423704-B2 CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS AVENTIS PHARMACEUTICALS INC. 2002-07-23 US disclosed
US-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases AVENTIS PHARMACEUTICALS INC. 2001-10-25 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-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases HRH4, HRH2, HRH1 OPRM1 707/4885OPRD1 257/4885OGFRL1 1505/4885

“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.