SCHEMBL18100591

SCHEMBL18100591

FC(F)(F)c1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CCN2Cc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.80
TMEM97 Q5BJF2 2/20 0.59
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
CHRM4 P08173 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL16408551 1.00 SIGMAR1 (0.80) SIGMAR1TMEM97DRD2DRD4CHRM4
SCHEMBL16397789 1.00 SIGMAR1 (0.80) SIGMAR1TMEM97DRD2DRD4CHRM4
SCHEMBL16408545 0.90 SIGMAR1 (0.75) SIGMAR1TMEM97
SCHEMBL18099237 0.90 SIGMAR1 (0.75) SIGMAR1TMEM97
SCHEMBL16408632 0.89 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL18100559 0.89 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL18099351 0.85 SIGMAR1 (0.69) SIGMAR1TMEM97
SCHEMBL18099233 0.85 SIGMAR1 (0.69) SIGMAR1TMEM97
SCHEMBL16408547 0.83 SIGMAR1 (0.57) SIGMAR1TMEM97DRD2DRD4CHRM4
SCHEMBL16408553 0.82 SIGMAR1 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115345-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN UNIV TEXAS (US) 2020-04-16 US disclosed
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-22 US disclosed
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 (3 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-20200115345-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF SIGMAR1 423/4885TMEM97 1532/4885DRD2 220/4885
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF SIGMAR1 423/4885TMEM97 1532/4885DRD2 220/4885
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain ELAVL1, ADH1A, NGF SIGMAR1 423/4885TMEM97 1532/4885DRD2 220/4885

“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.