SCHEMBL21294750

SCHEMBL21294750

CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)C[C@@H]1NC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.49
SLC6A4 P31645 10/20 0.49
SLC6A3 Q01959 10/20 0.49
CYP2D6 P10635 6/20 0.49
CYP3A4 P08684 5/20 0.49
TP53 P04637 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
MAPK1 P28482 3/20 0.49
CYP2C9 P11712 2/20 0.49
NPC1 O15118 2/20 0.49
MTOR P42345 2/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 2/20 0.49
NFKB1 P19838 2/20 0.49
THPO P40225 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
GMNN O75496 2/20 0.48

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
SCHEMBL735622 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL9870878 0.76 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL15336338 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL16536436 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL16536421 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL736152 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL16543148 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL735534 0.72 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL10193138 0.72 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL4470188 0.72 ESR2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4

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-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 SLC6A2 76/4885SLC6A4 279/4885SLC6A3 210/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 SLC6A2 129/4885SLC6A4 141/4885SLC6A3 230/4885

“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.