SCHEMBL5513461

SCHEMBL5513461

COc1ccc2c(c1)CCNC2c1ccc(C)cc1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA9 Q16790 4/20 0.58
CA14 Q9ULX7 4/20 0.58
CA7 P43166 3/20 0.58
HTR2C P28335 4/20 0.51
KDM1A O60341 2/20 0.48
GID4 Q8IVV7 1/20 0.48
HTR2A P28223 3/20 0.43
HTR2B P41595 3/20 0.43
KMT2A Q03164 3/20 0.42
MAOA P21397 1/20 0.42
PRCP P42785 1/20 0.41
MEN1 O00255 2/20 0.41
CHRNA7 P36544 1/20 0.41
CYP19A1 P11511 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
SCHEMBL23966139 0.90 HTR2C (0.51) CA1CA2CA9CA14CA7
SCHEMBL5520356 0.86 CA1 (0.58) CA1CA2CA9CA14CA7
SCHEMBL29670244 0.84 CA1 (0.70) CA1CA2CA9CA14CA7
SCHEMBL19453945 0.84 CA1 (0.70) CA1CA2CA9CA14CA7
SCHEMBL4242796 0.80 CA1 (0.60) CA1CA2CA9CA14CA7
SCHEMBL22701316 0.79 KMT2A (0.49) CA1CA2CA9CA14CA7
SCHEMBL22877657 0.79 MAOA (0.60) KDM1AKMT2AMAOAMEN1
SCHEMBL4239697 0.78 CA1 (0.53) CA1CA2CA9CA14CA7
SCHEMBL5522656 0.77 GID4 (0.69) CA1CA2CA9CA14CA7
SCHEMBL19453963 0.77 CA1 (0.60) CA1CA2CA9CA14CA7

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
US-7256201-B2 Selective estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-08-14 US disclosed
US-20050101584-A1 Selective estrogen receptor-beta ligands ASTRAZENECA AB (SE) 2005-05-12 US disclosed
EP-1341765-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-10 EP disclosed
WO-2002046164-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 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-20050101584-A1 Selective estrogen receptor-beta ligands ESR2, ESRRA, ESRRB CA1 3708/4885CA2 4743/4885CA9 4694/4885

“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.