SCHEMBL6400657

SCHEMBL6400657

O=C(OCC1=CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 20/20 0.53
CHRM1 P11229 20/20 0.53
CHRM3 P20309 20/20 0.53

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
SCHEMBL6399496 0.91 CHRM2 (0.52) CHRM2CHRM1CHRM3
Bromide SCHEMBL4523960 0.80 CHRM2 (0.45) CHRM2CHRM1CHRM3
SCHEMBL6399750 0.80 CHRM2 (0.57) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL6400216 0.79 CHRM2 (0.49) CHRM2CHRM1CHRM3
SCHEMBL6398785 0.79 CHRM2 (0.68) CHRM2CHRM1CHRM3
SCHEMBL6399727 0.78 CHRM2 (0.61) CHRM2CHRM1CHRM3
SCHEMBL6399675 0.78 CHRM2 (0.68) CHRM2CHRM1CHRM3
SCHEMBL6398771 0.78 CHRM2 (0.60) CHRM2CHRM1CHRM3
SCHEMBL6400127 0.78 CHRM2 (0.60) CHRM2CHRM1CHRM3
SCHEMBL6404269 0.77 CHRM2 (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
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
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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 (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-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 CHRM2 1479/4885CHRM1 1610/4885CHRM3 2266/4885

“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.