SCHEMBL25000183

SCHEMBL25000183

CC(C)(N)Cc1ccc2c(c1)CCN2C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.41
▸ SLC6A2 P23975 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ SMAD3 P84022 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL26229682 0.83 SRD5A1 (0.46) S1PR1HTR2BLMNATP53MAPT
SCHEMBL13547889 0.79 ATAD2 (0.44) SLC6A2HTR2BSLC6A4LMNAMAPT
SCHEMBL12049122 0.78 PARP11 (0.40) LMNATP53MAPTALDH1A1GAA
SCHEMBL25133774 0.75 RORC (0.36) HTR2BHTR2AHTR2CTMEM97CYP1A2
SCHEMBL28308999 0.74 NOTUM (0.51) HTR2AKDM4EMEN1ALDH1A1HTT
SCHEMBL13112863 0.74 NOTUM (0.43) LMNATP53MAPTKDM4EMEN1
SCHEMBL18714328 0.73 HTR2C (0.31) HTR2BLMNATP53MAPTKDM4E
SCHEMBL12049079 0.72 NOTUM (0.53) HTR2BHTR2AHTR2CSRD5A1NOTUM
SCHEMBL12049074 0.72 NOTUM (0.53) HTR2BALDH1A1HTTL3MBTL1HTR2C
SCHEMBL12233420 0.72 SRD5A1 (0.43) HTR2BHTR2AHTR2CSRD5A1NOTUM

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-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 — — 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-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 S1PR1 449/4885SLC6A2 322/4885HTR2B 23/4885

“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.

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