SCHEMBL1366693

SCHEMBL1366693

CC(C)CN1CCC(NC(=O)c2cnc(-c3ccccc3)nc2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
WNT1 P04628 5/20 0.47
DYRK1A Q13627 5/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGDS O60760 2/20 0.44
HTR4 Q13639 1/20 0.43
PTPN11 Q06124 3/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
SCN1A P35498 1/20 0.43

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
SCHEMBL1366017 0.87 ADORA2A (0.53) PARP1WNT1DYRK1ANPC1ALDH1A1
SCHEMBL12141988 0.86 ATR (0.55) DYRK1ANPC1ALDH1A1TP53MAPT
SCHEMBL1365048 0.85 DRD4 (0.60) PARP1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL14094614 0.84 CKS1B (0.47) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL1366200 0.84 HPGDS (0.54) PARP1WNT1DYRK1AHPGDSPRKAB2
SCHEMBL14094611 0.83 ALDH1A1 (0.49) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL1364526 0.82 SLC6A12 (0.56) POLB
SCHEMBL1366388 0.76 POLB (0.63) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22573606 0.76 SMN1; SMN2 (0.55) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL1364727 0.76 ADORA2A (0.49) PARP1WNT1DYRK1AALDH1A1HTR4

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 PARP1 3388/4885WNT1 2408/4885DYRK1A 4794/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S PARP1 3388/4885WNT1 2408/4885DYRK1A 4794/4885

“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.