SCHEMBL7095067

SCHEMBL7095067

Clc1cnc2n1CCc1ccccc1C2=C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.41
HRH4 Q9H3N8 6/20 0.41
HTR2C P28335 3/20 0.41
CHRM2 P08172 2/20 0.41
HTR1A P08908 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
ADRA1A P35348 2/20 0.41
OPRK1 P41145 2/20 0.41
HTR2B P41595 2/20 0.41
KCNH2 Q12809 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM4 P08173 1/20 0.41
ABCB1 P08183 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41

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
SCHEMBL7092907 0.86 SETD7 (0.56) HRH1HRH4HTR2CCHRM2HTR1A
SCHEMBL15790874 0.82 HRH1 (0.39) HRH1HRH4HTR2CCHRM2HTR1A
SCHEMBL25616981 0.80 PTAFR (0.43) HRH1HRH4HTR2CCHRM2HTR1A
SCHEMBL7095204 0.77 HRH1 (0.62) HRH1CHRM2HTR2AOPRK1HTR2B
SCHEMBL3557332 0.75 SMN1; SMN2 (0.48) HRH1HRH4SETD7
SCHEMBL6987747 0.74 HRH1 (0.62) HRH1HRH4HTR2CCHRM2HTR1A
SCHEMBL6178102 0.71 SETD7 (0.58) HRH1HRH4HTR2CCHRM2HTR1A
SCHEMBL31350956 0.71 SETD7 (0.58) HRH1HRH4HTR2CCHRM2HTR1A
Hydrochloric Acid SCHEMBL9718833 0.70 SETD7 (0.56) HRH1HRH4HTR2CCHRM2HTR1A
SCHEMBL15773559 0.69 SETD7 (0.54) HRH1HRH4HTR2CCHRM2HTR1A

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 HRH1 73/4885HRH4 40/4885HTR2C 633/4885

“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.