SCHEMBL4904281

SCHEMBL4904281

CCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.48
GPR119 Q8TDV5 6/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.47
GRIN2B Q13224 3/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
STS P08842 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL4912573 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTGPR119
SCHEMBL9008880 0.86 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTGPR119
SCHEMBL785781 0.86 CCR5 (0.58) GPR119JAK2JAK1STS
SCHEMBL13797803 0.84 GPR119 (0.57) GPR119KDM4EPKMJAK2JAK1
SCHEMBL6967998 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTTGPR119
SCHEMBL27099041 0.83 SMN1; SMN2 (0.56) YAP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL23249889 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTGPR119
SCHEMBL16095616 0.82 GPR119 (0.48) YAP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL4915131 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTGPR119
SCHEMBL6976534 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
EP-1833792-A1 SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS CCR5 MODULATORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006067385-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-29 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-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 YAP1 1123/4885SMN1; SMN2 3791/4885NPC1 1430/4885

“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.