SCHEMBL16501428

SCHEMBL16501428

CC(=O)Cn1nnc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
ESR2 Q92731 1/20 0.53
GPR119 Q8TDV5 10/20 0.52
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
PTPN11 Q06124 1/20 0.42
ACHE P22303 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL13261276 0.88 ALDH1A1 (0.50) MAPTALDH1A1ESR2GPR119HSD17B10
SCHEMBL16501442 0.83 ALDH1A1 (0.49) MAPTALDH1A1ESR2GPR119SMN1; SMN2
SCHEMBL16501433 0.83 SCD (0.50) MAPTALDH1A1ESR2CKS1BSKP1
SCHEMBL16501427 0.79 RAB9A (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16501435 0.78 ALDH1A1 (0.48) MAPTALDH1A1ESR2GPR119SMN1; SMN2
SCHEMBL16652717 0.77 GPR119 (0.59) MAPTALDH1A1GPR119SMN1; SMN2LMNA
SCHEMBL13261275 0.76 GPR119 (0.53) MAPTGPR119CKS1BSKP1SKP2
SCHEMBL16501444 0.76 SLC6A7 (0.48)
SCHEMBL3605523 0.75 GPR119 (0.59) MAPTALDH1A1GPR119LMNACKS1B
SCHEMBL24964179 0.74 GPR119 (0.61) MAPTALDH1A1GPR119SMN1; SMN2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 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-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY MAPT 3518/4885ALDH1A1 1696/4885ESR2 1511/4885

“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.