Sugi Predict

Sugi Predict / Compounds / SCHEMBL602903

SCHEMBL602903

SCHEMBL602903

COC1CCC(C)(N2CCC(Nc3cc(C)c(F)cc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.40
▸ CHRM4 P08173 5/20 0.40
▸ CHRM5 P08912 5/20 0.40
▸ CHRM1 P11229 5/20 0.40
▸ CHRM3 P20309 5/20 0.40
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL602902 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL600514 0.90 CHRM4 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL600515 0.90 CHRM4 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL602569 0.89 CHRM4 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL601263 0.89 CHRM4 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL601262 0.89 CHRM4 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL608113 0.85 MAPT (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL608114 0.85 MAPT (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL604616 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL603371 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3

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-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 — — EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 — — US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 — — US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 — — 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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM2 2/4885CHRM4 3/4885CHRM5 4/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM2 2/4885CHRM4 3/4885CHRM5 4/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM2 2/4885CHRM4 4/4885CHRM5 3/4885

“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.