SCHEMBL602338

SCHEMBL602338

CCCOC1CCC(N2CCC(Nc3cc(Br)c(C(F)(F)F)cc3N)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.33
HRH3 Q9Y5N1 5/20 0.32
TLR7 Q9NYK1 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
SCHEMBL602337 1.00 PIK3CA (0.33) PIK3CAHRH3TLR7
SCHEMBL603224 1.00 PIK3CA (0.33) PIK3CAHRH3TLR7
SCHEMBL10244402 0.89 OPRM1 (0.32) HRH3TLR7
SCHEMBL14213276 0.88 PIK3CA (0.36) PIK3CA
SCHEMBL601155 0.87 PIK3CA (0.36) PIK3CAHRH3TLR7
SCHEMBL601154 0.87 PIK3CA (0.36) PIK3CAHRH3TLR7
SCHEMBL601375 0.87 PIK3CA (0.36) PIK3CAHRH3TLR7
SCHEMBL602227 0.86 PIK3CA (0.36) PIK3CA
SCHEMBL602226 0.86 PIK3CA (0.36) PIK3CA
SCHEMBL601797 0.85 MAPK1 (0.39) HRH3

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 PIK3CA 3012/4885HRH3 217/4885TLR7 961/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 PIK3CA 2820/4885HRH3 152/4885TLR7 765/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 PIK3CA 2838/4885HRH3 355/4885TLR7 466/4885

“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.