SCHEMBL24672585

SCHEMBL24672585

CN1[C@@H]2CC[C@H]1C[C@]1(Cc3ccccc3[C@H]1N)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 4/20 0.49
SLC6A2 P23975 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PTPN11 Q06124 10/20 0.37
KCNH2 Q12809 2/20 0.36
SIGMAR1 Q99720 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
SCHEMBL22523749 0.84 PTPN11 (0.35) SLC6A4SLC6A3PTPN11KCNH2
SCHEMBL24335988 0.80 OPRM1 (0.36) SLC6A4SLC6A3SLC6A2CYP2D6DRD3
SCHEMBL21940874 0.78 PTPN11 (0.39) SLC6A4SLC6A3SLC6A2PTPN11KCNH2
SCHEMBL21940872 0.78 PTPN11 (0.39) SLC6A4SLC6A3SLC6A2PTPN11KCNH2
SCHEMBL24388823 0.76 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL23046087 0.76 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL21940659 0.76 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL24635820 0.75 HTR2A (0.35) PTPN11
SCHEMBL23023952 0.75 HTR2A (0.35) PTPN11
SCHEMBL24672327 0.75 HTR2A (0.35) PTPN11

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 SLC6A4 4652/4885SLC6A3 4441/4885SLC6A2 4744/4885

“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.