SCHEMBL21499079

SCHEMBL21499079

OCCCN1CCCC2CC1c1cc(-c3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 1.00
TMEM97 Q5BJF2 3/20 1.00
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
NR1H4 Q96RI1 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
GBA1 P04062 1/20 0.35
UGCG Q16739 1/20 0.35
GBA2 Q9HCG7 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
SCHEMBL16408529 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97SPHK2SPHK1NR1H4
SCHEMBL21870943 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97SPHK2SPHK1NR1H4
SCHEMBL26665048 0.94 SIGMAR1 (0.88) SIGMAR1TMEM97CHRNB2CHRNA4GBA1
SCHEMBL26829074 0.94 SIGMAR1 (0.88) SIGMAR1TMEM97CHRNB2CHRNA4GBA1
SCHEMBL18100598 0.94 SIGMAR1 (0.88) SIGMAR1TMEM97CHRNB2CHRNA4GBA1
SCHEMBL30656608 0.94 SIGMAR1 (0.88) SIGMAR1TMEM97CHRNB2CHRNA4GBA1
SCHEMBL18099318 0.86 SIGMAR1 (0.75) SIGMAR1TMEM97NR1H4
SCHEMBL21499080 0.82 SIGMAR1 (0.69) SIGMAR1TMEM97
SCHEMBL18100596 0.82 SIGMAR1 (0.69) SIGMAR1TMEM97
SCHEMBL16408530 0.82 SIGMAR1 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain ELAVL1, ADH1A, NGF SIGMAR1 423/4885TMEM97 1532/4885SPHK2 1750/4885

“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.