SCHEMBL21451583

SCHEMBL21451583

CC(C)N1CCCC(O)(CN)CC1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37

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
SCHEMBL10446766 0.92 CYP2D6 (0.41) CYP2D6
SCHEMBL24789912 0.83 CYP2D6 (0.34) CYP2D6
SCHEMBL25124994 0.79 SLC6A2 (0.33) CYP2D6
SCHEMBL25856175 0.77 OPRM1 (0.31)
SCHEMBL21451537 0.76 CYP2D6 (0.38) CYP2D6
SCHEMBL20007916 0.75 KMT2A (0.33)
SCHEMBL7849180 0.74 CHRNA7 (0.39) CYP2D6
SCHEMBL13741269 0.74 CYP2D6 (0.38) CYP2D6
SCHEMBL24713119 0.72 CYP2D6 (0.37) CYP2D6
SCHEMBL18471534 0.72 CYP2D6 (0.37) CYP2D6

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-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US disclosed
US-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2020-02-27 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 (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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC CYP2D6 4575/4885
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN21, PTPN5, PTPN1 CYP2D6 4253/4885
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 CYP2D6 3453/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 CYP2D6 4022/4885

“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.