SCHEMBL6551639

SCHEMBL6551639

COC(=O)C1=CCCN(CCCCCCCCO)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
CHRM3 P20309 3/20 0.57
CHRM2 P08172 2/20 0.57
CHRM4 P08173 2/20 0.57
CHRM5 P08912 2/20 0.57
CHRM1 P11229 2/20 0.57
THRB P10828 1/20 0.57
BLM P54132 3/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
OPRK1 P41145 1/20 0.39
PMP22 Q01453 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4509743 0.88 LMNA (0.64) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL4514388 0.84 LMNA (0.59) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL6551383 0.82 SLC6A1 (0.52) LMNABLMCYP1A2CYP2D6PMP22
SCHEMBL10874466 0.82 LMNA (0.56) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL4520047 0.81 LMNA (0.62) LMNACHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL10419888 0.81 LMNA (0.62) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL4511928 0.80 LMNA (0.65) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL4519711 0.80 CHRM3 (0.60) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL4525215 0.79 LMNA (0.59) LMNACHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL9702237 0.78 CHRM3 (0.61) LMNACHRM3CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385824-A2 COMPOUNDS CO-INDUCING CHOLINERGIC UP-REGULATION AND INFLAMMATION DOWN-REGULATION AND USES THEREOF ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2004-02-04 EP disclosed
US-20020160988-A1 Compounds co-inducing cholinergic up-regulation and inflammation down-regulation and uses thereof ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2002-10-31 US disclosed
WO-2002065977-A2 COMPOUNDS CO-INDUCING CHOLINERGIC UP-REGULATION AND INFLAMMATION DOWN-REGULATION AND USES THEREOF ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2002-08-29 WO 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-20020160988-A1 Compounds co-inducing cholinergic up-regulation and inflammation down-regulation and uses thereof CHAT, ACHE, CHRNB2 LMNA 4005/4885CHRM3 6/4885CHRM2 13/4885

“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.