SCHEMBL2473650

SCHEMBL2473650

Cc1ccc(C2c3c(C)cc(C)cc3OC2(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MAPT P10636 2/20 0.33
MAOB P27338 3/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL4970458 0.77 HTR1A (0.37) HTR2BSIGMAR1ALDH1A1CNR1CNR2
SCHEMBL4972270 0.73 KCNE1 (0.38) HTR2BALDH1A1MAPTMAOBKDM4E
SCHEMBL4973173 0.69 LMNA (0.40) HTR2BSIGMAR1MAPTLMNAHTT
SCHEMBL4969761 0.68 GAA (0.48) HTR2BSIGMAR1ALDH1A1MAOB
SCHEMBL4972701 0.67 MAOB (0.40) ALDH1A1MAPTMAOBKDM4ELMNA
SCHEMBL3603597 0.67 MAPT (0.33) HTR2BTMEM97SIGMAR1ALDH1A1MAPT
SCHEMBL4972258 0.67 ALOX5 (0.31)
SCHEMBL2473357 0.66
SCHEMBL2476852 0.66
SCHEMBL8717957 0.66 MEN1 (0.33) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP 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 (2 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 HTR7 552/4885HTR2B 258/4885TMEM97 1652/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 HTR7 303/4885HTR2B 197/4885TMEM97 1521/4885

“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.