SCHEMBL21451536

SCHEMBL21451536

CCC(C)N1CCCC2(CC1)CNC(=O)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
DRD1 P21728 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN11 Q06124 1/20 0.36
CDK8 P49336 6/20 0.33
CDK19 Q9BWU1 6/20 0.33
SMO Q99835 1/20 0.33
CCNC P24863 4/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CYP11B2 P19099 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL18848901 0.94 LMNA (0.45) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL20007955 0.87 CYP2D6 (0.44) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL21776108 0.84 LMNA (0.42) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL18896609 0.83 LMNA (0.43) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL25015103 0.81 LMNA (0.46) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL9963258 0.81 CYP2D6 (0.48) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL21776132 0.77 LMNA (0.51) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL20111960 0.76 LMNA (0.50) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL29341677 0.75 CYP2D6 (0.46) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL22770864 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2019-10-10 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 (2 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-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN21, PTPN5, PTPN1 LMNA 2700/4885CHRM2 4523/4885ADRA2A 4789/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 LMNA 2796/4885CHRM2 4711/4885ADRA2A 4791/4885

“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.