SCHEMBL3041052

SCHEMBL3041052

O=C(O)N[C@H]1CC[C@@H](F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
EPHX2 P34913 2/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
PKM P14618 1/20 0.40
EPHX1 P07099 8/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL3038104 1.00 POLB (0.43) POLBEPHX2MMP2MMP8PKM
SCHEMBL3038102 1.00 POLB (0.43) POLBEPHX2MMP2MMP8PKM
SCHEMBL6658887 0.89 EPHX2 (0.50) POLBEPHX2MMP2MMP8PKM
SCHEMBL245467 0.89
Hydrochloric Acid SCHEMBL11416981 0.86
SCHEMBL18606286 0.85 PKM (0.38) POLBEPHX2MMP2MMP8PKM
SCHEMBL18606296 0.85 PKM (0.38) POLBEPHX2MMP2MMP8PKM
SCHEMBL23573545 0.81 EPHX2 (0.64) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL23573542 0.81 EPHX2 (0.64) POLBEPHX2MMP2MMP8EPHX1
SCHEMBL27906777 0.81 POLB (0.44) POLBEPHX2MMP2MMP8PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP 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 (2 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 POLB 4463/4885EPHX2 3700/4885MMP2 4022/4885
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN POLB 4074/4885EPHX2 2243/4885MMP2 4561/4885

“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.