SCHEMBL602226

SCHEMBL602226

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.36
ALOX15 P16050 1/20 0.33
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
CYP3A4 P08684 1/20 0.30
NSD2 O96028 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30

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
SCHEMBL602227 1.00 PIK3CA (0.36) PIK3CAALOX15BRD4ATAD2CYP3A4
SCHEMBL14213276 0.96 PIK3CA (0.36) PIK3CAALOX15BRD4ATAD2CYP3A4
SCHEMBL602458 0.93 ALOX15 (0.35) PIK3CAALOX15BRD4ATAD2NSD2
SCHEMBL602459 0.93 ALOX15 (0.35) PIK3CAALOX15BRD4ATAD2NSD2
SCHEMBL600695 0.88 ALOX15 (0.33) PIK3CAALOX15BRD4ATAD2NSD2
SCHEMBL601485 0.88 ALOX15 (0.33) PIK3CAALOX15BRD4ATAD2NSD2
SCHEMBL602758 0.88 CHRM1 (0.38) PIK3CAALOX15BRD4ATAD2NSD2
SCHEMBL600696 0.88 ALOX15 (0.33) PIK3CAALOX15BRD4ATAD2NSD2
SCHEMBL603227 0.88 CHRM1 (0.38) PIK3CAALOX15BRD4ATAD2NSD2
SCHEMBL602759 0.88 CHRM1 (0.38) PIK3CAALOX15BRD4ATAD2NSD2

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 3012/4885ALOX15 3169/4885BRD4 407/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 PIK3CA 2820/4885ALOX15 2841/4885BRD4 499/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 PIK3CA 2838/4885ALOX15 1967/4885BRD4 3304/4885

“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.