SCHEMBL16408581

SCHEMBL16408581

Clc1cccc(CN2CC[C@@H]3CC2c2cc(N4CCCCC4)ccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 1.00
TMEM97 Q5BJF2 2/20 0.52
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL21498991 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97KDM4EALDH1A1GAA
SCHEMBL16408641 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97KDM4EALDH1A1GAA
SCHEMBL18099265 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97KDM4EALDH1A1GAA
SCHEMBL18100556 0.91 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL18099240 0.91 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL16408644 0.87 SIGMAR1 (0.80) SIGMAR1TMEM97
SCHEMBL18100561 0.80 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL18099266 0.80 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL16408516 0.80 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL16408580 0.80 SIGMAR1 (1.00) 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
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 (2 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 1532/4885KDM4E 2334/4885
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain ELAVL1, ADH1A, NGF SIGMAR1 423/4885TMEM97 1532/4885KDM4E 2334/4885

“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.