Sugi Predict

Sugi Predict / Compounds / SCHEMBL601451

SCHEMBL601451

SCHEMBL601451

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BCL2 P10415 1/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BCL6 P41182 1/20 0.32
▸ BCOR Q6W2J9 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL601450 1.00 MAPK1 (0.41) MAPK1NPSR1MAPTLMNAALDH1A1
SCHEMBL602527 0.95 MAPK1 (0.42) MAPK1NPSR1MAPTLMNAALDH1A1
SCHEMBL602526 0.95 MAPK1 (0.42) MAPK1NPSR1MAPTLMNAALDH1A1
SCHEMBL601960 0.89 MAPK1 (0.39) MAPK1NPSR1MAPTLMNAALDH1A1
SCHEMBL601796 0.89 MAPK1 (0.39) MAPK1NPSR1MAPTLMNAALDH1A1
SCHEMBL601797 0.89 MAPK1 (0.39) MAPK1NPSR1MAPTLMNAALDH1A1
SCHEMBL10190297 0.87 MAPT (0.39) MAPK1NPSR1MAPTLMNAALDH1A1
SCHEMBL14414144 0.86 MAPK1 (0.43) MAPK1NPSR1MAPTLMNAALDH1A1
SCHEMBL14414146 0.86 MAPK1 (0.43) MAPK1NPSR1MAPTLMNAALDH1A1
SCHEMBL14944078 0.85 MAPT (0.39) MAPK1NPSR1MAPTLMNAALDH1A1

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 MAPK1 1242/4885NPSR1 16/4885MAPT 772/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 MAPK1 1633/4885NPSR1 78/4885MAPT 593/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 MAPK1 2132/4885NPSR1 43/4885MAPT 607/4885

“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.