Sugi Predict

Sugi Predict / Compounds / SCHEMBL601457

SCHEMBL601457

SCHEMBL601457

CCCOC1CCC(C)(N2CCC(Nc3cc(Br)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 9/20 0.40
▸ CHRM5 P08912 9/20 0.40
▸ CHRM1 P11229 9/20 0.40
▸ CHRM3 P20309 9/20 0.40
▸ CHRM2 P08172 8/20 0.40
▸ MAPK1 P28482 4/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PKM P14618 2/20 0.35
▸ MAPT P10636 4/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL601456 1.00 CHRM4 (0.40) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL10190321 0.90 CHRM4 (0.43) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL600866 0.86 CHRM4 (0.40) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL600865 0.86 CHRM4 (0.40) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL601797 0.85 MAPK1 (0.39) MAPK1NPSR1PKMMAPTRAB9A
SCHEMBL601796 0.85 MAPK1 (0.39) MAPK1NPSR1PKMMAPTRAB9A
SCHEMBL601960 0.85 MAPK1 (0.39) MAPK1NPSR1PKMMAPTRAB9A
SCHEMBL601262 0.82 CHRM4 (0.54) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL601263 0.82 CHRM4 (0.54) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL602569 0.82 CHRM4 (0.54) CHRM4CHRM5CHRM1CHRM3CHRM2

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 CHRM4 3/4885CHRM5 4/4885CHRM1 1/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM4 3/4885CHRM5 4/4885CHRM1 1/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM4 4/4885CHRM5 3/4885CHRM1 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.