SCHEMBL1366200

SCHEMBL1366200

CC(C)CN1CCC(NC(=O)c2cnc(-c3ccccc3)nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.54
▸ PRKAB2 O43741 3/20 0.54
▸ PRKAG1 P54619 3/20 0.54
▸ PRKAA2 P54646 3/20 0.54
▸ PRKAA1 Q13131 3/20 0.54
▸ PRKAG3 Q9UGI9 3/20 0.54
▸ PRKAG2 Q9UGJ0 3/20 0.54
▸ PRKAB1 Q9Y478 3/20 0.54
▸ CARM1 Q86X55 1/20 0.51
▸ PRMT6 Q96LA8 1/20 0.51
▸ WNT1 P04628 2/20 0.50
▸ DYRK1A Q13627 2/20 0.50
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ TTK P33981 1/20 0.48
▸ PARP1 P09874 1/20 0.48
▸ SCN1A P35498 2/20 0.48
▸ SCN5A Q14524 2/20 0.48
▸ SCN9A Q15858 2/20 0.48
▸ CKS1B P61024 1/20 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
SCHEMBL1366727 0.85 CARM1 (0.58) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1366327 0.85 GABRA5 (0.57) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1366693 0.84 PARP1 (0.49) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1366534 0.84 PRKAA2 (0.75) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4636340 0.83 GABRA5 (0.55) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1367196 0.82 DRD4 (0.67) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1367082 0.82 HPGDS (0.78) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14094612 0.82 CKS1B (0.54) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1366963 0.79 SLC6A12 (0.57) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10251883 0.78 CXCR4 (0.74) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 — — US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 — — US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885PRKAB2 4386/4885PRKAG1 4286/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885PRKAB2 4386/4885PRKAG1 4286/4885

“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.

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