SCHEMBL23023988

SCHEMBL23023988

O=C(O)N1[C@@H]2CC[C@H]1C[C@]1(Cc3ccccc3C1=O)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.43
HRH1 P35367 15/20 0.43
HTR2B P41595 15/20 0.43
HTR2C P28335 13/20 0.43
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 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
SCHEMBL23023989 1.00 HTR2A (0.43) HTR2AHRH1HTR2BHTR2CLMNA
SCHEMBL29891053 0.81 CHRM2 (0.43) HTR2AHRH1HTR2BHTR2CSIGMAR1
SCHEMBL31288595 0.81 CHRM2 (0.43) HTR2AHRH1HTR2BHTR2CSIGMAR1
SCHEMBL22493807 0.81 CHRM2 (0.43) HTR2AHRH1HTR2BHTR2CSIGMAR1
SCHEMBL21856028 0.75 LMNA (0.44) HTR2AHTR2BHTR2CLMNAHTT
SCHEMBL22493731 0.75 GPR3 (0.36) HTR2AHRH1HTR2BHTR2C
SCHEMBL22493728 0.75 GPR3 (0.36) HTR2AHRH1HTR2BHTR2C
SCHEMBL22493727 0.75 GPR3 (0.36) HTR2AHRH1HTR2BHTR2C
SCHEMBL8312002 0.72 SIGMAR1 (0.50) HTR2AHTR2BHTR2CLMNAHTT
SCHEMBL23024229 0.71 DRD2 (0.37) HTR2AHRH1HTR2BHTR2CSIGMAR1

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-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US 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

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 HTR2A 4480/4885HRH1 4368/4885HTR2B 4584/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 HTR2A 4480/4885HRH1 4368/4885HTR2B 4584/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC HTR2A 4287/4885HRH1 4309/4885HTR2B 4635/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 HTR2A 4480/4885HRH1 4368/4885HTR2B 4584/4885

“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.