SCHEMBL4250066

SCHEMBL4250066

CCN1CCN(CCCC(=O)c2ccc(O)c(O)c2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ HRH1 P35367 3/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HRH2 P25021 2/20 0.40
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL10350961 0.77 HTT (0.56) KDM4EALDH1A1PKMPIK3CA
SCHEMBL11419973 0.77 SELL (0.56) KDM4EALDH1A1PKMPIK3CA
SCHEMBL4511328 0.76 DRD2 (0.67) HRH1CHRM1DRD2DRD4CHRM2
SCHEMBL3650265 0.76 HTT (0.63) KDM4EALDH1A1PKMPIK3CA
SCHEMBL7773826 0.75 SELL (0.54) KDM4EALDH1A1PKMPIK3CA
SCHEMBL10794438 0.74 HTT (0.61) KDM4EALDH1A1PIK3CA
SCHEMBL10351740 0.74 HTT (0.61) KDM4EALDH1A1PIK3CA
SCHEMBL10350952 0.74 HTT (0.61) KDM4EALDH1A1PIK3CA
SCHEMBL9806444 0.74 HTT (0.61) KDM4EALDH1A1PIK3CA
SCHEMBL8823487 0.74 HTT (0.61) KDM4EALDH1A1PIK3CA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176802-A1 ANTIDOTES TO EXOGENOUS NEUROTOXIC AGENTS PAPADOPOULOS VASSILIOS 2009-07-09 — — US claimed
WO-2007092458-A1 ANTIDOTES TO EXOGENOUS NEUROTOXIC AGENTS SAMARITAN PHARMACEUTICALS, INC. (US) 2007-08-16 — — WO claimed
US-20060247248-A1 Sigma-1 receptor ligand with acetylcholinesterase SAMARITAN PHARMACEUTICALS, INC. 2006-11-02 — — US claimed
US-20090176802-A1 ANTIDOTES TO EXOGENOUS NEUROTOXIC AGENTS PAPADOPOULOS VASSILIOS 2009-07-09 — — US disclosed
US-20060247248-A1 Sigma-1 receptor ligand with acetylcholinesterase SAMARITAN PHARMACEUTICALS, INC. 2006-11-02 — — 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 (2 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-20060247248-A1 Sigma-1 receptor ligand with acetylcholinesterase SIGMAR1, CHRNE, ACHE TSHR 786/4885HRH1 307/4885CHRM1 13/4885
US-20090176802-A1 ANTIDOTES TO EXOGENOUS NEUROTOXIC AGENTS INA, ACHE, NLN TSHR 1662/4885HRH1 2753/4885CHRM1 603/4885

“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.

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