SCHEMBL6839773

SCHEMBL6839773

CC(C)(C)OC(=O)N1CCN(c2cccc(C#N)c2)C(C(=O)Nc2ccc(N3CCCCC3=O)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
GPR119 Q8TDV5 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
USP30 Q70CQ3 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
ROCK2 O75116 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL6839725 0.88 PARP14 (0.44) F10NPC1RAB9AABL1RIN1
SCHEMBL6835624 0.78 NOTUM (0.47) GPR119USP30
SCHEMBL3609661 0.73 USP30 (0.58) GPR119USP30
SCHEMBL1583449 0.72 GRM5 (0.46) GPR119USP30
SCHEMBL14525364 0.69 SMN1; SMN2 (0.53) F10NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18452908 0.69 HRH3 (0.48) GPR119USP30
SCHEMBL4411364 0.69 ALOX5 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL6842234 0.69 KDM1A (0.49) F10NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6835604 0.69 KDM1A (0.49) F10NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL688078 0.69 GPR119 (0.56) GPR119MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 F10 5/4885NPC1 2264/4885RAB9A 1592/4885

“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.