SCHEMBL2059412

SCHEMBL2059412

COC(=O)c1ccc(O[C@@H]2CN(C(=O)c3ccccc3)[C@](C)(C(=O)O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
GRIN2B Q13224 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL2059264 0.83 CYP2C19 (0.40) TSHRGRIN2BRAB9AALDH1A1CYP3A4
SCHEMBL2059327 0.79 GRIN2B (0.38) TSHRGRIN2BMAPTALDH1A1CYP3A4
SCHEMBL2059309 0.73 MAPK1 (0.49) TSHRALDH1A1MAPK1KMT2A
SCHEMBL2439748 0.72 USP30 (0.47)
SCHEMBL2059409 0.72 MMP2 (0.46) TSHRGRIN2BMAPTRAB9ASMN1; SMN2
SCHEMBL22694559 0.70 SRD5A2 (0.42) MAPTRAB9ASMN1; SMN2ALDH1A1CA1
SCHEMBL17542442 0.69 OPRD1 (0.58) TSHRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL16147114 0.69 EPHX2 (0.61) TSHRMAPTRAB9ACA1CA2
SCHEMBL31171531 0.69 TSHR (0.43) TSHRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL31171617 0.69 TSHR (0.43) TSHRMAPTRAB9ASMN1; SMN2NPC1

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
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
EP-2058301-A1 PYRROLIDINE ANALOGUE FOR PREVENTING NEUROGENIC PAIN AND METHOD FOR PRODUCTION THEREOF Gifu University (JP) 2009-05-13 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 (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 TSHR 4643/4885GRIN2B 1048/4885MAPT 3427/4885

“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.