SCHEMBL16290474

SCHEMBL16290474

CN(C)C(=O)NCCc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
CNR1 P21554 4/20 0.57
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TAAR1 Q96RJ0 2/20 0.54
MAPT P10636 2/20 0.54
GFER P55789 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
IDO1 P14902 1/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.51
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL847718 0.83 TAAR1 (0.52) CNR1TAAR1PLAAT3PLAAT5PLAAT2
SCHEMBL14106337 0.82 CA12 (0.58) L3MBTL1NPC1RAB9ATAAR1MAPT
SCHEMBL1008891 0.80 KDM4E (0.70) CYP1A2CYP2D6CYP2C19CNR1GAA
SCHEMBL19376008 0.78 HTT (0.55) CYP1A2CYP2D6CYP2C19CNR1GAA
SCHEMBL31657825 0.78 HTT (0.55) CYP1A2CYP2D6CYP2C19CNR1GAA
SCHEMBL4582082 0.78 TAAR1 (0.65) CYP1A2CYP2D6CYP2C19CNR1GAA
SCHEMBL31657814 0.77 MAPT (0.56) CYP1A2CYP2D6CYP2C19CNR1NPC1
SCHEMBL19375965 0.77 MAPT (0.56) CYP1A2CYP2D6CYP2C19CNR1NPC1
SCHEMBL17790725 0.77 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CNR1GAA
SCHEMBL8700358 0.77 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19CNR1GAA

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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CYP1A2 1457/4885CYP2D6 1784/4885CYP2C19 1735/4885

“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.