SCHEMBL7092907

SCHEMBL7092907

CN1CCC(=C2c3ccccc3CCn3c(Cl)cnc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.56
ADRA1A P35348 6/20 0.52
CHRM2 P08172 5/20 0.52
CHRM1 P11229 5/20 0.52
KCNH2 Q12809 5/20 0.52
HTR2A P28223 5/20 0.52
HTR2B P41595 5/20 0.52
HRH1 P35367 5/20 0.52
HTR1A P08908 4/20 0.52
HTR2C P28335 4/20 0.52
DRD2 P14416 3/20 0.52
OPRK1 P41145 3/20 0.52
ADRA2A P08913 5/20 0.46
DRD1 P21728 4/20 0.46
DRD3 P35462 4/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46
ADRA1D P25100 4/20 0.46

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
SCHEMBL7095067 0.86 HRH1 (0.41) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL15773559 0.82 SETD7 (0.54) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL7095204 0.82 HRH1 (0.62) CHRM2KCNH2HTR2AHTR2BHRH1
Alcaftadine SCHEMBL1602418 0.81 SETD7 (0.52) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL5060512 0.81 SETD7 (0.52) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL15790814 0.81 SETD7 (0.52) SETD7ADRA1ACHRM2CHRM1KCNH2
Alcaftadine SCHEMBL29378093 0.81 SETD7 (0.52) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL2604746 0.81 SETD7 (0.51) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL2116710 0.81 SETD7 (0.51) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL27300170 0.78 SETD7 (0.48) SETD7ADRA1ACHRM2CHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888352-B1 FUSED IMIDAZOLE DERIVATIVES AS MULTIDRUG RESISTANCE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2003-05-28 EP disclosed
US-20030087895-A1 Fused imidazole derivatives as multidrug resistance modulators JANSSENS FRANS EDUARD (BE) 2003-05-08 US disclosed
US-6544979-B1 Having multidrug resistance modulating properties JANSSEN PHARMACEUTICALS, N.V. (BE) 2003-04-08 US disclosed
EP-1011726-B1 FUSED IMIDAZOLE DERIVATIVES FOR IMPROVING ORAL BIOAVAILABILITY OF PHARMACEUTICAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2003-02-26 EP disclosed
US-6476018-B1 Fused imidazole derivatives as multidrug resistance modulators JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-05 US disclosed
US-6218381-B1 FOR DECREASING, ELIMINATING OR REVERSING A DEVELOPING OR EXISTING RESISTANCE TO CHEMOTHERAPEUTIC DRUG THERAPY JANSSEN PHARMACEUTICA N.V. (BE) 2001-04-17 US disclosed
EP-0888352-A1 FUSED IMIDAZOLE DERIVATIVES AS MULTIDRUG RESISTANCE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-07 EP disclosed
WO-1997034897-A1 FUSED IMIDAZOLE DERIVATIVES AS MULTIDRUG RESISTANCE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 1997-09-25 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-20030087895-A1 Fused imidazole derivatives as multidrug resistance modulators ABCC1, CBR1, ABCB11 SETD7 931/4885ADRA1A 455/4885CHRM2 1277/4885

“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.