SCHEMBL1782019

SCHEMBL1782019

O=C(O)c1ccc2c(c1)[C@H]1CC[C@@H]2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.66
RARB P10826 1/20 0.66
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
CHRNB1 P11230 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
CHRND Q07001 1/20 0.51
KMO O15229 1/20 0.46
CREBBP Q92793 1/20 0.44
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 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
SCHEMBL1422581 1.00 RARG (0.66) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL1782039 1.00 RARG (0.66) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL10148390 0.92 RARG (0.56) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL9748436 0.89 RARG (0.56) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL10486022 0.84 RARG (0.51) RARGRARBTP53KDM4EMAPT
SCHEMBL10932919 0.83 CHRNB2 (0.73) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL4592426 0.83 RARG (0.52) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL16526937 0.83 RARG (0.52) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL10933604 0.82 RARG (0.67) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL10938499 0.82 RARG (0.62) RARGRARBCHRNA1CHRNGCHRNB1

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
EP-2297105-B1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-09-02 EP disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 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-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 RARG 4625/4885RARB 4696/4885CHRNA1 3743/4885

“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.