SCHEMBL10129346

SCHEMBL10129346

C[C@@H]1CCCC[C@H]1N(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
EPHX1 P07099 1/20 0.37
JAK3 P52333 1/20 0.34
OPRM1 P35372 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
S1PR3 Q99500 1/20 0.32
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL14076185 1.00 CA1 (0.39) CA1CA2CA4EPHX1JAK3
SCHEMBL10130953 1.00 CA1 (0.39) CA1CA2CA4EPHX1JAK3
SCHEMBL10129477 1.00 CA1 (0.39) CA1CA2CA4EPHX1JAK3
SCHEMBL17571753 1.00 CA1 (0.39) CA1CA2CA4EPHX1JAK3
SCHEMBL10292422 1.00 CA1 (0.39) CA1CA2CA4EPHX1JAK3
SCHEMBL16995439 1.00 CA1 (0.39) CA1CA2CA4EPHX1JAK3
SCHEMBL13090794 1.00 CA1 (0.39) CA1CA2CA4EPHX1JAK3
SCHEMBL24244332 0.97 CA1 (0.38) CA1CA2CA4EPHX1JAK3
SCHEMBL20847538 0.97 CA1 (0.38) CA1CA2CA4EPHX1JAK3
SCHEMBL17571756 0.94

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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
WO-2016036954-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-03-10 WO disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 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 (2 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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 CA1 3721/4885CA2 2352/4885CA4 2652/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 CA1 2067/4885CA2 267/4885CA4 935/4885

“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.