SCHEMBL3211293

SCHEMBL3211293

CCC(CC)c1ccc(OC)c2nc(Nc3ccc(Cl)cc3C(F)(F)F)n(C)c12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.54
LMNA P02545 2/20 0.38
HTR6 P50406 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
P2RX7 Q99572 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
P2RX3 P56373 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL3209740 0.88 CRHR1 (0.61) CRHR1P2RX7
SCHEMBL3199674 0.86 CRHR1 (0.57) CRHR1
SCHEMBL3207713 0.85 CRHR1 (0.54) CRHR1P2RX7
SCHEMBL3199518 0.84 CRHR1 (0.55) CRHR1P2RX7
SCHEMBL2056042 0.82 CRHR1 (0.49) CRHR1
SCHEMBL13423135 0.82 CRHR1 (0.53) CRHR1LMNA
SCHEMBL3210871 0.82 CRHR1 (0.53) CRHR1P2RX7
SCHEMBL2056038 0.79 CRHR1 (0.80) CRHR1
SCHEMBL2055965 0.79 CRHR1 (0.60) CRHR1P2RX7
SCHEMBL3207691 0.78 CRHR1 (0.59) CRHR1

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
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US claimed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 CRHR1 4/4885LMNA 4357/4885HTR6 64/4885

“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.