SCHEMBL13849417

SCHEMBL13849417

COCCN1CCN(c2ccc(C)c(OC)c2)C[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.40
CTSC P53634 1/20 0.40
CHEK1 O14757 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MAP3K12 Q12852 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
KCNH2 Q12809 4/20 0.36
CCR1 P32246 2/20 0.36
DRD3 P35462 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL13849418 1.00 DPP4 (0.40) DPP4CTSCCHEK1PPARGPPARD
SCHEMBL12862128 0.88 DPP4 (0.40) DPP4CHEK1PPARGPPARDPPARA
SCHEMBL13849432 0.87 MAP3K12 (0.40) DPP4CTSCCHEK1LRRK2MAP3K12
SCHEMBL22642860 0.85 CTSC (0.47) CTSCPPARGPPARDPPARALRRK2
SCHEMBL28290450 0.75 ALDH1A1 (0.49) CTSCLRRK2MAP3K12ADORA2ADRD3
SCHEMBL3312558 0.75 ADORA2A (0.40) DPP4CHEK1ADORA2AADORA1KCNH2
SCHEMBL13362115 0.75 ADORA2A (0.40) DPP4CHEK1ADORA2AADORA1KCNH2
SCHEMBL3312565 0.75 ADORA2A (0.40) DPP4CHEK1ADORA2AADORA1KCNH2
SCHEMBL12961321 0.73 DPP4 (0.52) DPP4LMNAMAPTMAPK1
SCHEMBL1911875 0.72 SIRT6 (0.60) DRD3SIRT6LMNAMAPTMAPK1

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-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 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 (1 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS DPP4 700/4885CTSC 3628/4885CHEK1 317/4885

“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.