SCHEMBL1367559

SCHEMBL1367559

Cc1nc(-c2ccccc2)ncc1C(=O)NC1CCN(C(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.51
GABRA5 P31644 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTR4 Q13639 1/20 0.48
HRH3 Q9Y5N1 3/20 0.46
PARP1 P09874 1/20 0.46
DRD4 P21917 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
AXL P30530 1/20 0.45
FLT3 P36888 1/20 0.45
TYRO3 Q06418 1/20 0.45
MERTK Q12866 1/20 0.45
GAS6 Q14393 1/20 0.45
ACKR3 P25106 1/20 0.44

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
SCHEMBL1364727 0.89 ADORA2A (0.49) GABRA5ADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL1366017 0.88 ADORA2A (0.53) GABRA5ADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL14094525 0.88 DGAT1 (0.53) DGAT1ALDH1A1CKS1BSKP1SKP2
SCHEMBL1364923 0.88 DGAT1 (0.53) DGAT1GABRA5ALDH1A1CKS1BSKP1
SCHEMBL1366327 0.84 GABRA5 (0.57) GABRA5ADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL1366388 0.83 POLB (0.63) CYP3A4CYP2D6DRD4
SCHEMBL4406616 0.82 KDM4E (0.58) ALDH1A1
SCHEMBL1364239 0.82 DGAT1 (0.48) DGAT1ALDH1A1CKS1BSKP1SKP2
SCHEMBL1366822 0.80 DRD4 (0.60) DGAT1ALDH1A1CYP2D6DRD4
SCHEMBL1366703 0.79 DGAT1 (0.55) DGAT1GABRA5CYP3A4HTR4AXL

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 DGAT1 1566/4885GABRA5 1644/4885ADORA2A 2744/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S DGAT1 1566/4885GABRA5 1644/4885ADORA2A 2744/4885

“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.