SCHEMBL2104158

SCHEMBL2104158

CCC(c1ccccc1)c1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
HRH1 P35367 4/20 0.38
LMNA P02545 3/20 0.38
HTR2A P28223 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MIF P14174 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
S1PR1 P21453 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2105057 0.88 CHRM2 (0.41) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL10547802 0.84 CYP19A1 (0.44) ALDH1A1TDP1
SCHEMBL2102395 0.83 CYP19A1 (0.43) SLC6A2SLC6A4
SCHEMBL6588790 0.82 TAAR1 (0.52) HRH1HTR2AALDH1A1
SCHEMBL1484177 0.81 SLC6A2 (0.49) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL2105356 0.80 PNMT (0.43) SLC6A2SLC6A4ALDH1A1CYP3A4CYP1A2
SCHEMBL9121993 0.79 CYP19A1 (0.43) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL12130579 0.79 SLC6A2 (0.34) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL2104464 0.79 CYP19A1 (0.36) SLC6A2SLC6A4ALDH1A1KDM4EGPR84
SCHEMBL4387563 0.78 CYP2C19 (0.40) CHRM2SLC6A2SLC6A4SCN1ASCN2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP claimed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US claimed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A CHRM2 196/4885SLC6A2 123/4885SLC6A4 34/4885

“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.