SCHEMBL18099321

SCHEMBL18099321

Clc1ccc2c(c1)[C@H]1C[C@@H]2CCCN1C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
TMEM97 Q5BJF2 2/20 0.54
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL16408531 1.00 SIGMAR1 (0.54) SIGMAR1TMEM97CHRNB2CHRNA4CNR2
SCHEMBL21498985 1.00 SIGMAR1 (0.54) SIGMAR1TMEM97CHRNB2CHRNA4CNR2
SCHEMBL10747828 0.78 GAA (0.45) CNR2CNR1
Hydrochloric Acid SCHEMBL9688465 0.77 GAA (0.44) CNR2CNR1
SCHEMBL18099320 0.76 SIGMAR1 (0.50) SIGMAR1TMEM97
SCHEMBL21499184 0.73 SIGMAR1 (0.62) SIGMAR1TMEM97CHRNB2CHRNA4
SCHEMBL21499181 0.73 SIGMAR1 (0.80) SIGMAR1TMEM97
SCHEMBL18099322 0.73 SIGMAR1 (0.62) SIGMAR1TMEM97CHRNB2CHRNA4
SCHEMBL21871139 0.73 SIGMAR1 (0.62) SIGMAR1TMEM97CHRNB2CHRNA4
SCHEMBL16408534 0.73 SIGMAR1 (0.80) 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 2 patents. 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
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 423/4885TMEM97 1532/4885CHRNB2 78/4885

“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.