SCHEMBL2278313

SCHEMBL2278313

CCCO[C@H]1CC[C@H](N2CCC(Nc3cc(C)cc(F)c3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
GPR174 Q9BXC1 1/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
HRH1 P35367 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
SCHEMBL2278310 1.00 MAPT (0.34) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2274870 0.94 CHRM2 (0.35) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2274873 0.94 CHRM2 (0.35) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4748600 0.89 GPR119 (0.32) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4748594 0.89 GPR119 (0.32) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4748591 0.89 GPR119 (0.32) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2275222 0.88 PDE7A (0.33) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL605271 0.88 PDE7A (0.33) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2279081 0.88 PDE7A (0.33) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2277732 0.85 CHRM2 (0.33) 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-1996189-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-09-26 EP disclosed
EP-1996189-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-09-26 EP disclosed
US-20110207777-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE TELECOM IP LIMITED 2011-08-25 US disclosed
WO-2007107567-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 WO 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 (1 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-20110207777-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 MAPT 603/4885ALDH1A1 308/4885SMN1; SMN2 1965/4885

“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.