SCHEMBL18099262

SCHEMBL18099262

Cc1cccc(-c2ccc3c(c2)[C@H]2C[C@H]3CCN2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 1.00
DRD2 P14416 1/20 0.43
TMEM97 Q5BJF2 1/20 0.38
HTR2C P28335 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ACHE P22303 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL18099259 0.89 SIGMAR1 (0.80) SIGMAR1DRD2TMEM97ACHE
SCHEMBL18099333 0.89 SIGMAR1 (0.80) SIGMAR1DRD2TMEM97ACHE
SCHEMBL18099323 0.85 SIGMAR1 (0.74) SIGMAR1DRD2TMEM97ACHE
SCHEMBL18100722 0.76 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHE
SCHEMBL16408564 0.76 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHE
SCHEMBL16402314 0.76 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHE
SCHEMBL18099347 0.76 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHE
SCHEMBL18099297 0.76 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHE
SCHEMBL21871140 0.76 SIGMAR1 (0.60) SIGMAR1TMEM97KMT2AACHE
SCHEMBL18099210 0.75 SIGMAR1 (0.59) SIGMAR1DRD2ACHE

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 1 patent. 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

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 423/4885DRD2 220/4885TMEM97 1532/4885

“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.