SCHEMBL3606530

SCHEMBL3606530

CN1CCC[C@H]1COc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.61
KCNH2 Q12809 4/20 0.61
CHRM3 P20309 4/20 0.49
CHRNB4 P30926 3/20 0.48
CHRNA3 P32297 3/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNB1 P11230 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNB3 Q05901 2/20 0.47

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
SCHEMBL3618205 0.83 HDAC1 (0.69) HDAC1KCNH2
SCHEMBL3620537 0.82 HDAC1 (0.64) HDAC1KCNH2
SCHEMBL3609062 0.78 HDAC1 (0.57) HDAC1KCNH2
SCHEMBL3615514 0.76 HDAC1 (0.96) HDAC1KCNH2
SCHEMBL3622238 0.76 HDAC1 (1.00) HDAC1KCNH2
SCHEMBL3621686 0.75 HDAC1 (0.87) HDAC1KCNH2
SCHEMBL3612049 0.75 HDAC1 (0.69) HDAC1KCNH2
SCHEMBL3614189 0.74 HDAC1 (0.81) HDAC1KCNH2
SCHEMBL3619788 0.74 HDAC1 (0.69) HDAC1KCNH2
SCHEMBL3610915 0.74 HDAC1 (0.66) HDAC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US disclosed
US-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-03-25 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885KCNH2 4232/4885CHRM3 4831/4885
US-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER HDAC1, HDAC2, HDAC3 HDAC1 1/4885KCNH2 2678/4885CHRM3 4029/4885

“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.