SCHEMBL1136498

SCHEMBL1136498

Cc1cc(N2CCNCC2)c2c(c1)N(Cc1cccc(F)c1)C(=O)C(C)(C)O2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.45
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
MAPT P10636 2/20 0.41
EGFR P00533 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
PRTN3 P24158 1/20 0.37

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
SCHEMBL1136462 0.94 HTR6 (0.47) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1136500 0.91 HTR6 (0.50) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1136505 0.89 HTR6 (0.49) HTR6HTR1AMAPTEGFRELANE
SCHEMBL1136499 0.86 HTR6 (0.48) HTR6HTR1AHTR7EGFRELANE
SCHEMBL1136524 0.86 HTR6 (0.46) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1536570 0.83 EGFR (0.42) HTR6HTR1AHTR7MAPTEGFR
SCHEMBL4675428 0.81 EGFR (0.39) HTR6MAPTEGFRTP53ELANE
SCHEMBL4674599 0.81 HTR6 (0.52) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL4676859 0.79 HTR6 (0.64) HTR6HTR1ADRD2HTR2AEGFR
SCHEMBL1136471 0.79 HTR6 (0.53) HTR6HTR1ADRD2HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP claimed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP claimed
WO-2006037482-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO claimed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US claimed
EP-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP disclosed
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
US-7713954-B2 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 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 (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-20060069094-A1 Compositions and methods for treating cognitive disorders HTR6, HTR2A, HTR2C HTR6 1/4885HTR1A 5/4885DRD2 88/4885

“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.