SCHEMBL2059262

SCHEMBL2059262

COC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)OC)N(C(=O)c3ccccc3)C2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
PDE4B Q07343 2/20 0.37
PDE4D Q08499 1/20 0.37
ANPEP P15144 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ROCK2 O75116 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHFR P00374 1/20 0.36
NOTUM Q6P988 1/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL12589774 0.93 CYP2D6 (0.38) MMP2CYP1A2CYP2D6HPGDCYP2C19
SCHEMBL2059409 0.83 MMP2 (0.46) MMP2KMT2AMEN1PDE4BPDE4D
SCHEMBL2059263 0.83 LMNA (0.43) CYP1A2CYP2D6HPGDCYP2C19ALDH1A1
SCHEMBL2059323 0.82 MMP2 (0.41) MMP2ALDH1A1KMT2AMEN1PDE4B
SCHEMBL12589770 0.76 TSHR (0.40) MMP2KMT2ATSHRRECQLSMN1; SMN2
SCHEMBL12589773 0.76 MMP2 (0.35) MMP2HPGDALDH1A1KMT2AMEN1
SCHEMBL18152416 0.75 NOTUM (0.44) CYP1A2CYP2D6HPGDCYP2C19ALDH1A1
SCHEMBL16533471 0.74 NOTUM (0.50) CYP1A2CYP2D6HPGDCYP2C19ALDH1A1
SCHEMBL10467904 0.73 MMP2 (0.53) MMP2ALDH1A1KMT2AMEN1ANPEP
SCHEMBL10467906 0.73 MMP2 (0.53) MMP2ALDH1A1KMT2AMEN1ANPEP

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-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 US disclosed
US-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 US disclosed
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 US disclosed
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof HNMT, OPRK1, OPRL1 MMP2 1780/4885CYP1A2 3856/4885CYP2D6 3441/4885

“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.