SCHEMBL14460139

SCHEMBL14460139

C[C@@H]1CN[C@@H](C)CN1Cc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.52
▸ MAPT P10636 3/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DBH P09172 1/20 0.39

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
SCHEMBL13936121 1.00 SIGMAR1 (0.52) SIGMAR1MAPTCYP2C9CYP2C19HDAC1
SCHEMBL103706 0.85 SIGMAR1 (0.68) SIGMAR1MAPT
SCHEMBL103704 0.85 SIGMAR1 (0.68) SIGMAR1MAPT
SCHEMBL103705 0.85 SIGMAR1 (0.68) SIGMAR1MAPT
SCHEMBL1190919 0.85 SIGMAR1 (0.68) SIGMAR1MAPT
SCHEMBL15679632 0.85 SIGMAR1 (0.68) SIGMAR1MAPT
SCHEMBL1190527 0.85 SIGMAR1 (0.68) SIGMAR1MAPT
SCHEMBL16549824 0.85 SIGMAR1 (0.68) SIGMAR1MAPT
SCHEMBL18411348 0.84 SIGMAR1 (0.53) SIGMAR1MAPTDRD2DRD4KMT2A
Hydrochloric Acid SCHEMBL4187485 0.84 SIGMAR1 (0.67) SIGMAR1MAPT

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-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS MOUNT COOK BIOSCIENCES, INC. (US) 2007-07-26 — — 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-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 SIGMAR1 8/4885MAPT 1722/4885CYP2C9 1013/4885

“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.

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