SCHEMBL6400743

SCHEMBL6400743

CN1CC2CCCC(C1)C2OC(=O)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 18/20 0.51
CHRM1 P11229 18/20 0.51
CHRM3 P20309 18/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
Iodide SCHEMBL4534178 0.86 CHRM2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL6399204 0.86 CHRM2 (0.54) CHRM2CHRM1CHRM3
Phencynonate SCHEMBL7092217 0.85 ALDH1A1 (0.66) CHRM2CHRM1CHRM3ALDH1A1CYP1A2
Phencynonate SCHEMBL29506428 0.85 ALDH1A1 (0.66) CHRM2CHRM1CHRM3ALDH1A1CYP1A2
Phencynonate SCHEMBL7093102 0.84 ALDH1A1 (0.65) CHRM2CHRM1CHRM3ALDH1A1CYP1A2
Phencynonate SCHEMBL29380090 0.84 ALDH1A1 (0.65) CHRM2CHRM1CHRM3ALDH1A1CYP1A2
SCHEMBL4184498 0.82 ALDH1A1 (0.67) CHRM2CHRM1CHRM3ALDH1A1CYP1A2
SCHEMBL6405144 0.81 ALDH1A1 (0.61) CHRM2CHRM1CHRM3ALDH1A1CYP1A2
SCHEMBL6400746 0.77 CHRM2 (0.44) CHRM2CHRM1CHRM3
SCHEMBL6400749 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3

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-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 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-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885

“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.