SCHEMBL22639683

SCHEMBL22639683

O[C@@H](COc1ccc(Cl)cc1)CN1CCCCC1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.85
CYP2D6 P10635 3/20 0.82
CYP2C19 P33261 1/20 0.82
KCNH2 Q12809 3/20 0.74
CACNA1G O43497 2/20 0.74
KDM4E B2RXH2 2/20 0.74
POLB P06746 1/20 0.74
TSHR P16473 2/20 0.73
HIF1A Q16665 1/20 0.73
KMT2A Q03164 2/20 0.70
ABCB1 P08183 2/20 0.67
HSD17B10 Q99714 2/20 0.67
RAB9A P51151 1/20 0.67
ACE2 Q9BYF1 1/20 0.67
MAPT P10636 1/20 0.64
CYP1A2 P05177 1/20 0.64

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
SCHEMBL7953079 1.00 ATM (0.85) ATMCYP2D6CYP2C19KCNH2CACNA1G
SCHEMBL11738962 0.96 ATM (0.78) ATMCYP2D6CYP2C19KCNH2CACNA1G
SCHEMBL11744068 0.96 ATM (0.78) ATMCYP2D6CYP2C19KCNH2CACNA1G
SCHEMBL11745028 0.94 ATM (0.75) ATMCYP2D6CYP2C19KCNH2CACNA1G
SCHEMBL11365346 0.92 KCNH2 (0.86) ATMCYP2D6CYP2C19KCNH2CACNA1G
SCHEMBL20437921 0.85 KMT2A (0.94) ATMCYP2D6CYP2C19KDM4EPOLB
SCHEMBL7297907 0.85 KCNH2 (0.71) ATMCYP2D6CYP2C19KCNH2CACNA1G
SCHEMBL7953122 0.85 TSHR (0.85) ATMCYP2D6CYP2C19KDM4EPOLB
SCHEMBL22640122 0.85 TSHR (0.85) ATMCYP2D6CYP2C19KDM4EPOLB
SCHEMBL10982797 0.85 ATM (0.85) ATMCYP2D6CYP2C19KDM4EPOLB

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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 (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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 ATM 3431/4885CYP2D6 3360/4885CYP2C19 4162/4885

“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.