SCHEMBL2059264

SCHEMBL2059264

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
PDE4B Q07343 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
GRIN2B Q13224 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35
NOTUM Q6P988 1/20 0.35
PKM P14618 1/20 0.35
PDE5A O76074 1/20 0.35
ESRRA P11474 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
SCHEMBL2059412 0.83 TSHR (0.42) CYP2C19ALDH1A1GAAGRIN2BKMT2A
SCHEMBL2059327 0.82 GRIN2B (0.38) CYP2C19CYP1A2HPGDPDE4BHSD17B10
SCHEMBL2059262 0.75 MMP2 (0.41) CYP2C19CYP1A2CYP2D6HPGDPDE4B
SCHEMBL18152416 0.74 NOTUM (0.44) CYP2C19CYP1A2CYP2D6HPGDHSD17B10
SCHEMBL16533471 0.73 NOTUM (0.50) CYP2C19CYP1A2CYP2D6HPGDPDE4B
SCHEMBL12589774 0.73 CYP2D6 (0.38) CYP2C19CYP1A2CYP2D6HPGDPDE4B
SCHEMBL1810188 0.73 NOTUM (0.48) CYP2C19CYP1A2CYP2D6HPGDHSD17B10
SCHEMBL8154363 0.71 PDE4B (0.50) CYP2C19CYP1A2PDE4BKDM4EALDH1A1
SCHEMBL20021947 0.71 PDE4B (0.53) PDE4BALDH1A1KMT2APOLBNOTUM
SCHEMBL31535406 0.71 PDE4B (0.50) CYP2C19CYP1A2PDE4BKDM4EALDH1A1

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 2 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-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 CYP2C19 2854/4885CYP1A2 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.