SCHEMBL605384

SCHEMBL605384

CCCOC1CCC(CC)(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.42
TAAR1 Q96RJ0 1/20 0.33
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL605383 1.00 MMP1 (0.42) MMP1TAAR1EPHX2TSHRCHRM2
SCHEMBL4655613 0.87 MMP1 (0.41) MMP1TAAR1EPHX2TSHRCHRM2
SCHEMBL3819860 0.86 MMP1 (0.40) MMP1
SCHEMBL10203584 0.82 MMP1 (0.38) MMP1EPHX2CHRM2CHRM4CHRM5
SCHEMBL600509 0.81 FFAR3 (0.45) MMP1TAAR1EPHX2TSHRCHRM2
SCHEMBL600510 0.81 FFAR3 (0.45) MMP1TAAR1EPHX2TSHRCHRM2
SCHEMBL600536 0.81 FFAR3 (0.45) MMP1TAAR1EPHX2TSHRCHRM2
SCHEMBL13464632 0.80 MMP1 (0.37) MMP1EPHX2
SCHEMBL11280638 0.77 MMP1 (0.36) MMP1TAAR1EPHX2TSHRCHRM2
SCHEMBL2012777 0.77 GSR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 EP disclosed
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-13 US disclosed
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 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 (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-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 MMP1 1825/4885TAAR1 93/4885EPHX2 2972/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 MMP1 1825/4885TAAR1 93/4885EPHX2 2972/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 MMP1 4217/4885TAAR1 153/4885EPHX2 2387/4885

“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.