SCHEMBL2105198

SCHEMBL2105198

c1cc2occc(Cc3ncc[nH]3)c-2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ TAAR1 Q96RJ0 11/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PDE9A O76083 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32

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
SCHEMBL955967 0.73 ADRA2A (0.58) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL11464502 0.72 TAAR1 (0.59) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL28103549 0.71 ADRA2A (0.69) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL30630902 0.67 TAAR1 (0.52) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL1679282 0.67 TAAR1 (0.64) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL955122 0.66 TAAR1 (0.68) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL2776944 0.66 TAAR1 (0.68) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL2366649 0.66 ADRA2A (0.97) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL10751461 0.66 ALDH1A1 (0.72) ADRA2AMEN1ALDH1A1KMT2AADRA1A
SCHEMBL26613645 0.66 TAAR1 (0.54) ADRA2AADRA2BADRA2CTAAR1HTR1A

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 9 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
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 — — 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
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 — — WO 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 ADRA2A 116/4885ADRA2B 107/4885ADRA2C 56/4885

“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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