SCHEMBL4244416

SCHEMBL4244416

Cn1ccnc1CN1CCCC(CNC(=O)c2cccc3[nH]c(N)nc23)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 12/20 0.45
HTR4 Q13639 12/20 0.45
PARP1 P09874 2/20 0.43
CCR3 P51677 1/20 0.41

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
SCHEMBL4244413 0.91 PARP1 (0.51) HTR3AHTR4PARP1
SCHEMBL4247814 0.84 HTR3A (0.44) HTR3AHTR4PARP1CCR3
SCHEMBL4247287 0.84 ALDH1A1 (0.46) HTR3AHTR4PARP1CCR3
SCHEMBL8258887 0.83 USP30 (0.43) HTR3AHTR4PARP1CCR3
SCHEMBL4247627 0.82 HTR3A (0.52) HTR3AHTR4PARP1CCR3
SCHEMBL4247805 0.75 HTR4 (0.63) HTR3AHTR4PARP1
SCHEMBL4247809 0.75 PARP1 (0.48) HTR3AHTR4PARP1
SCHEMBL4247280 0.75 PARP1 (0.46) HTR3AHTR4PARP1
SCHEMBL4241194 0.73 MAPT (0.45) PARP1
SCHEMBL4239353 0.73 PBK (0.56) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HTR3A 1341/4885HTR4 3430/4885PARP1 1741/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP HTR3A 1341/4885HTR4 3430/4885PARP1 1741/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HTR3A 1341/4885HTR4 3430/4885PARP1 1741/4885

“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.