SCHEMBL16408557

SCHEMBL16408557

CN1CCC2C[C@@H]1c1cc(N3CCOCC3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.62
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
TMEM97 Q5BJF2 5/20 0.47

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
SCHEMBL18099271 1.00 SIGMAR1 (0.62) SIGMAR1OPRM1OPRD1TMEM97
SCHEMBL20809661 0.86 SIGMAR1 (0.60) SIGMAR1OPRM1OPRD1TMEM97
SCHEMBL16408516 0.75 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL18099266 0.75 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL18100561 0.75 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL16408580 0.75 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL18099323 0.75 SIGMAR1 (0.74) SIGMAR1TMEM97
SCHEMBL18099214 0.75 SIGMAR1 (0.42) SIGMAR1OPRM1OPRD1
SCHEMBL18099314 0.75 SIGMAR1 (0.42) SIGMAR1OPRM1OPRD1
SCHEMBL18099325 0.74 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 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
WO-2015009742-A2 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-01-22 WO 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 423/4885OPRM1 29/4885OPRD1 30/4885

“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.