SCHEMBL24672327

SCHEMBL24672327

N[C@@H]1c2ccccc2C[C@]12CC1CC[C@@H](C2)N1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
PTPN11 Q06124 4/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1B P35368 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL24635820 1.00 HTR2A (0.35) HTR2APTPN11ADRA2AADRA2BADRA2C
SCHEMBL23023953 1.00 HTR2A (0.35) HTR2APTPN11ADRA2AADRA2BADRA2C
SCHEMBL30529555 1.00 HTR2A (0.35) HTR2APTPN11ADRA2AADRA2BADRA2C
SCHEMBL22523738 1.00 HTR2A (0.35) HTR2APTPN11ADRA2AADRA2BADRA2C
SCHEMBL23023952 1.00 HTR2A (0.35) HTR2APTPN11ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL22493747 0.98 HTR2A (0.34) HTR2APTPN11
Hydrochloric Acid SCHEMBL31288462 0.98 HTR2A (0.34) HTR2APTPN11
SCHEMBL24335986 0.79 SLC6A2 (0.35) PTPN11
SCHEMBL21397424 0.76 HTR2A (0.39) HTR2A
SCHEMBL21397423 0.76 HTR2A (0.39) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 HTR2A 4480/4885PTPN11 14/4885ADRA2A 4704/4885

“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.