SCHEMBL17157124

SCHEMBL17157124

CN1CCC(C)(C)C[C@@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.40
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRM1 P35372 3/20 0.31
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
FFAR3 O14843 1/20 0.30

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
SCHEMBL17157125 1.00 APLNR (0.40) APLNRKMT2AGRM2GRM3ALDH1A1
SCHEMBL24938563 0.79 TSHR (0.30)
SCHEMBL15007599 0.79 APLNR (0.43) APLNRKMT2AGRM2GRM3
SCHEMBL15007598 0.79 APLNR (0.43) APLNRKMT2AGRM2GRM3
SCHEMBL16489099 0.78 GRM2 (0.31) APLNRGRM2GRM3OPRM1OPRD1
SCHEMBL17171344 0.77 ATM (0.42) APLNRKMT2AGRM2GRM3
SCHEMBL18084402 0.74 APLNR (0.35) APLNRKMT2A
SCHEMBL27641429 0.73
SCHEMBL15851446 0.71 GRM2 (0.37) APLNRKMT2AGRM2GRM3
SCHEMBL15851447 0.71 GRM2 (0.37) APLNRKMT2AGRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10159745-B2 Tubulysin derivatives MEDIMMUNE, LLC (US) 2018-12-25 US disclosed
EP-3129362-A1 TUBULYSIN DERIVATIVES Medimmune, LLC (US) 2017-02-15 EP disclosed
US-20160339114-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2016-11-24 US disclosed
US-20160339114-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2016-11-24 US disclosed
US-20160339114-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2016-11-24 US disclosed
US-9427479-B2 Tubulysin derivatives MEDIMMUNE LLC (US) 2016-08-30 US disclosed
US-9427479-B2 Tubulysin derivatives MEDIMMUNE LLC (US) 2016-08-30 US disclosed
US-9427479-B2 Tubulysin derivatives MEDIMMUNE LLC (US) 2016-08-30 US disclosed
US-20150291657-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 US disclosed
US-20150291657-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 US disclosed
US-20150291657-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 US disclosed
WO-2015157594-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 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 (3 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-10159745-B2 Tubulysin derivatives TEKT1, TWF2, TEK APLNR 1304/4885KMT2A 2974/4885GRM2 4329/4885
US-20150291657-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK APLNR 1304/4885KMT2A 2974/4885GRM2 4329/4885
US-20160339114-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK APLNR 1304/4885KMT2A 2974/4885GRM2 4329/4885

“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.