SCHEMBL18099323

SCHEMBL18099323

Cc1ccc2c(c1)[C@@H]1C[C@H]2CCN1C

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.74
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
ACHE P22303 2/20 0.40
TMEM97 Q5BJF2 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL18099333 0.88 SIGMAR1 (0.80) SIGMAR1CHRNB2CHRNA4ACHETMEM97
SCHEMBL18099259 0.88 SIGMAR1 (0.80) SIGMAR1CHRNB2CHRNA4ACHETMEM97
SCHEMBL18099262 0.85 SIGMAR1 (1.00) SIGMAR1ACHETMEM97DRD2
SCHEMBL16408589 0.81 SIGMAR1 (0.51) SIGMAR1CHRNB2CHRNA4TMEM97DRD2
SCHEMBL18099210 0.79 SIGMAR1 (0.59) SIGMAR1CHRNB2CHRNA4ACHEDRD2
SCHEMBL20809661 0.77 SIGMAR1 (0.60) SIGMAR1TMEM97
SCHEMBL8842402 0.75 SIGMAR1 (0.52) SIGMAR1CHRNB2CHRNA4ACHEDRD2
SCHEMBL16408557 0.75 SIGMAR1 (0.62) SIGMAR1TMEM97
SCHEMBL18099271 0.75 SIGMAR1 (0.62) SIGMAR1TMEM97
SCHEMBL18099325 0.75 MEN1 (0.56) SIGMAR1TMEM97

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-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-09-29 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 (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-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF SIGMAR1 423/4885CHRNB2 78/4885CHRNA4 45/4885

“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.