SCHEMBL1364526

SCHEMBL1364526

COc1cccc(OC)c1CN1CCC(NC(=O)c2cnc(-c3ccccc3)nc2N)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.56
DRD4 P21917 6/20 0.51
DRD3 P35462 3/20 0.51
DRD2 P14416 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ACHE P22303 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
CHRNA4 P43681 1/20 0.51
HTR3A P46098 1/20 0.51

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
SCHEMBL1366639 0.90 SLC6A12 (0.57) SLC6A12DRD4DRD3DRD2CYP3A4
SCHEMBL1366963 0.86 SLC6A12 (0.57) SLC6A12DRD3ACHEMCHR1MEN1
SCHEMBL14094611 0.82 ALDH1A1 (0.49) MEN1KMT2ACDK1CDK4CCND1
SCHEMBL1365048 0.82 DRD4 (0.60) SLC6A12DRD4CYP2D6POLB
SCHEMBL1366693 0.82 PARP1 (0.49) POLB
SCHEMBL12141988 0.81 ATR (0.55) KMT2ACDK1CDK2
SCHEMBL14094614 0.80 CKS1B (0.47) MEN1KMT2A
SCHEMBL1366017 0.78 ADORA2A (0.53) DRD4CYP3A4CYP2D6
SCHEMBL1366388 0.76 POLB (0.63) SLC6A12DRD4CYP3A4CYP1A2CYP2D6
SCHEMBL1367494 0.75 SLC6A12 (0.62) SLC6A12DRD4DRD2CYP3A4CYP1A2

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-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP 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
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO 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 SLC6A12 3147/4885DRD4 4232/4885DRD3 3631/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S SLC6A12 3147/4885DRD4 4232/4885DRD3 3631/4885

“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.