SCHEMBL12445147

SCHEMBL12445147

O=C1OCCN1c1cc(Br)c2c(c1)CCO2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.35
RIPK1 Q13546 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC9A3 P48764 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS O95271 1/20 0.31
IDH1 O75874 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
MAP4K1 Q92918 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
SCHEMBL12445146 0.81 LMNA (0.43)
SCHEMBL12445148 0.73 CYP11B2 (0.46) CYP11B2HRH3SLC9A3CCNCCDK8
SCHEMBL1966124 0.70 CMA1 (0.41)
SCHEMBL8118010 0.69 GAA (0.39) PARP1
SCHEMBL12444827 0.69 TNKS (0.34) SLC9A3CCNCCDK8TNKSIDH1
SCHEMBL5486378 0.69 PRKAG1 (0.40) SLC9A3CCNCCDK8TNKSIDH1
SCHEMBL11595049 0.69 IDH1 (0.40) TNKSIDH1EGLN2
SCHEMBL153211 0.68 AHR (0.45) PARP1
SCHEMBL20575529 0.68 BCL2 (0.36) CCNCCDK8TNKSIDH1EGLN2
SCHEMBL1455890 0.67 BCL2 (0.48) TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A CYP11B2 583/4885RIPK1 2940/4885HRH3 397/4885

“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.