SCHEMBL1966247

SCHEMBL1966247

N#Cc1ccc(NC2CCC(C(=O)O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
DPP4 P27487 2/20 0.46
DGAT1 O75907 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PAX8 Q06710 1/20 0.42
EPHX2 P34913 2/20 0.42
SOAT1 P35610 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CCR6 P51684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
UBE2N P61088 1/20 0.40
TSHR P16473 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
SCHEMBL2344279 1.00 EPHX1 (0.47) EPHX1DPP4DGAT1ALDH1A1NPC1
SCHEMBL12391596 1.00 EPHX1 (0.47) EPHX1DPP4DGAT1ALDH1A1NPC1
SCHEMBL565302 0.80 AKR1C3 (0.53) EPHX1DPP4ALDH1A1NPC1RAB9A
SCHEMBL12733191 0.80 CCR6 (0.49) EPHX1DPP4NPC1RAB9ACCR6
SCHEMBL12391598 0.80 PAX8 (0.50) EPHX1DPP4ALDH1A1NPC1RAB9A
SCHEMBL12186536 0.80 PAX8 (0.50) EPHX1DPP4ALDH1A1NPC1RAB9A
SCHEMBL12581586 0.80 RAB9A (0.43) EPHX1ALDH1A1NPC1RAB9ALMNA
SCHEMBL2335568 0.78 JAK2 (0.43) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL1964260 0.78 JAK2 (0.43) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL1966704 0.78 CXCR2 (0.41) NPC1RAB9AMEN1KMT2AUBE2N

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
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 EPHX1 1296/4885DPP4 3263/4885DGAT1 964/4885

“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.