SCHEMBL6736304

SCHEMBL6736304

C[N+]1(C(=O)N(Cc2ccc([C@H]3CCCC[C@@H]3C(=O)O)cc2)c2ccccc2)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.37
CHRM1 P11229 9/20 0.37
CHRM3 P20309 9/20 0.37
ATM Q13315 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
LTB4R2 Q9NPC1 2/20 0.35
LIMK2 P53671 1/20 0.34
STAT3 P40763 1/20 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
SCHEMBL6737598 0.76 SLC6A2 (0.45) ATMSLC6A2SLC6A4KCNQ3KCNQ2
SCHEMBL6733188 0.75 ALDH1A1 (0.40) CHRM2CHRM1CHRM3ATMSLC6A2
SCHEMBL5718068 0.73 ATM (0.40) ATMSLC6A2SLC6A4KCNQ3KCNQ2
SCHEMBL6737836 0.72 PREP (0.39) CHRM2CHRM1CHRM3ATMSLC6A2
SCHEMBL5718155 0.72 ALDH1A1 (0.42) CHRM2CHRM1CHRM3ATMALDH1A1
SCHEMBL6738399 0.70 SLC6A2 (0.39) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL6733197 0.70 SLC6A2 (0.42) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL7161662 0.69 SMN1; SMN2 (0.55) ALDH1A1
SCHEMBL5718005 0.69 SMN1; SMN2 (0.55) ALDH1A1
SCHEMBL6844383 0.68 KCNQ3 (0.49) CHRM2CHRM1CHRM3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2004-11-25 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-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases CYP46A1, REN, CYP11B2 CHRM2 2522/4885CHRM1 2846/4885CHRM3 1844/4885

“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.