SCHEMBL21383769

SCHEMBL21383769

O=C(O)N1CCC2(C[C@@H]1CO)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL21383773 1.00 OPRK1 (0.40) OPRK1ALDH1A1KMT2AMAPK1HSD17B10
SCHEMBL25340255 1.00 OPRK1 (0.40) OPRK1ALDH1A1KMT2AMAPK1HSD17B10
SCHEMBL17242474 0.83 MMP2 (0.32) OPRK1L3MBTL1POLB
SCHEMBL13756715 0.82 OPRK1 (0.38) OPRK1ALDH1A1KMT2AMAPK1LMNA
SCHEMBL24533850 0.79 ATM (0.38) OPRK1ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL15352264 0.77 ALDH1A1 (0.36) OPRK1ALDH1A1KMT2AMAPK1HSD17B10
SCHEMBL21383955 0.77 ALDH1A1 (0.35) OPRK1ALDH1A1KMT2AMAPK1HSD17B10
SCHEMBL21383957 0.77 ALDH1A1 (0.35) OPRK1ALDH1A1KMT2AMAPK1HSD17B10
SCHEMBL25343309 0.77 ALDH1A1 (0.35) OPRK1ALDH1A1KMT2AMAPK1HSD17B10
SCHEMBL38659174 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
WO-2023137225-A1 BTK DEGRADER NEWAVE PHARMACEUTICAL INC. (US) 2023-07-20 WO disclosed
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 US disclosed
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRODINGER, INC. 2022-10-06 US disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
EP-3768668-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 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 (4 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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 OPRK1 4648/4885ALDH1A1 3280/4885KMT2A 1505/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 OPRK1 4648/4885ALDH1A1 3280/4885KMT2A 1505/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC OPRK1 4682/4885ALDH1A1 3858/4885KMT2A 1388/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 OPRK1 4648/4885ALDH1A1 3280/4885KMT2A 1505/4885

“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.