SCHEMBL18099347

SCHEMBL18099347

COC(=O)CCN1CC[C@@H]2C[C@H]1c1cc(-c3cccc(C)c3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.60
TMEM97 Q5BJF2 2/20 0.41
KMT2A Q03164 3/20 0.41
ACHE P22303 1/20 0.41
DRD4 P21917 1/20 0.39
CHRM3 P20309 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
SCHEMBL16402314 1.00 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHEDRD4
SCHEMBL18100722 1.00 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHEDRD4
SCHEMBL18099297 1.00 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHEDRD4
SCHEMBL21871140 1.00 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHEDRD4
SCHEMBL16408564 1.00 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHEDRD4
SCHEMBL18099332 0.94 SIGMAR1 (0.55) SIGMAR1TMEM97KMT2ACHRM3
SCHEMBL18100571 0.94 SIGMAR1 (0.55) SIGMAR1TMEM97KMT2ACHRM3
SCHEMBL16408535 0.94 SIGMAR1 (0.55) SIGMAR1TMEM97KMT2ACHRM3
SCHEMBL16408637 0.94 SIGMAR1 (0.55) SIGMAR1TMEM97KMT2ACHRM3
SCHEMBL18099328 0.86 SIGMAR1 (0.52) SIGMAR1TMEM97ACHE

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 4 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
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 1532/4885KMT2A 812/4885
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF SIGMAR1 423/4885TMEM97 1532/4885KMT2A 812/4885
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain ELAVL1, ADH1A, NGF SIGMAR1 423/4885TMEM97 1532/4885KMT2A 812/4885

“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.