SCHEMBL10190143

SCHEMBL10190143

CO[C@H]1CC[C@@H](N2CCC(Nc3cc(Br)c(C)cc3N)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
RIPK2 O43353 1/20 0.37
SIGMAR1 Q99720 3/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
PDE7A Q13946 1/20 0.34
NSD2 O96028 2/20 0.33
BACE1 P56817 1/20 0.33
EHMT2 Q96KQ7 4/20 0.32
ALOX15 P16050 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
EHMT1 Q9H9B1 1/20 0.31
CD38 P28907 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
SCHEMBL10190151 1.00 PIK3CA (0.40) PIK3CARIPK2SIGMAR1BRD4ATAD2
SCHEMBL601155 0.87 PIK3CA (0.36) PIK3CARIPK2SIGMAR1PDE7ANSD2
SCHEMBL601154 0.87 PIK3CA (0.36) PIK3CARIPK2SIGMAR1PDE7ANSD2
SCHEMBL601375 0.87 PIK3CA (0.36) PIK3CARIPK2SIGMAR1PDE7ANSD2
SCHEMBL14213276 0.86 PIK3CA (0.36) PIK3CABRD4ATAD2NSD2EHMT2
SCHEMBL602458 0.84 ALOX15 (0.35) PIK3CASIGMAR1BRD4ATAD2NSD2
SCHEMBL602459 0.84 ALOX15 (0.35) PIK3CASIGMAR1BRD4ATAD2NSD2
SCHEMBL600951 0.84 RIPK2 (0.35) PIK3CARIPK2BRD4ATAD2PDE7A
SCHEMBL601474 0.84 RIPK2 (0.35) PIK3CARIPK2BRD4ATAD2PDE7A
SCHEMBL600181 0.84 IRAK4 (0.39) PIK3CARIPK2BRD4ATAD2PDE7A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 PIK3CA 2820/4885RIPK2 3830/4885SIGMAR1 20/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 PIK3CA 2838/4885RIPK2 3399/4885SIGMAR1 72/4885

“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.