SCHEMBL4517243

SCHEMBL4517243

CC(C)(C)OC(=O)N1CCC(OC(=O)[C@](O)(c2ccc(Br)cc2)[C@@H]2CCC(F)(F)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 15/20 0.46
CHRM1 P11229 15/20 0.46
CHRM3 P20309 15/20 0.46
GPR119 Q8TDV5 1/20 0.42
RORC P51449 1/20 0.41
KDM1A O60341 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7251041 0.96 CHRM2 (0.44) CHRM2CHRM1CHRM3RORCFPR3
SCHEMBL4524979 0.93 CHRM2 (0.46) CHRM2CHRM1CHRM3GPR119KDM1A
SCHEMBL4525114 0.91 CHRM2 (0.56) CHRM2CHRM1CHRM3ALDH1A1CYP1A2
SCHEMBL4531864 0.91 CHRM2 (0.56) CHRM2CHRM1CHRM3ALDH1A1CYP1A2
SCHEMBL4531758 0.90 CHRM2 (0.47) CHRM2CHRM1CHRM3GPR119KDM1A
SCHEMBL4516587 0.90 CHRM2 (0.45) CHRM2CHRM1CHRM3GPR119
SCHEMBL4511669 0.89 CHRM2 (0.44) CHRM2CHRM1CHRM3GPR119KDM1A
SCHEMBL4517981 0.87 CHRM2 (0.43) CHRM2CHRM1CHRM3GPR119
SCHEMBL4532701 0.86 CHRM2 (0.49) CHRM2CHRM1CHRM3FPR3FPR2
SCHEMBL4529345 0.85 CHRM2 (0.50) CHRM2CHRM1CHRM3ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 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
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP 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 (3 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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20050065211-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.