SCHEMBL7093736

SCHEMBL7093736

Cc1cccc2nc(NC3=NCCN3)[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.58
ADRA2A P08913 9/20 0.54
ADRA2C P18825 7/20 0.54
ADRA2B P18089 6/20 0.54
ADRA1A P35348 5/20 0.54
ADRA1D P25100 3/20 0.54
ADRA1B P35368 3/20 0.54
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
SLC22A1 O15245 1/20 0.44
SLC22A3 O75751 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HRH2 P25021 1/20 0.44
CYP2C19 P33261 1/20 0.44
OPRK1 P41145 1/20 0.44

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
Hydrochloric Acid SCHEMBL11784274 0.99 HTR1D (0.57) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL7087068 0.83 HTR1D (0.45) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL7035386 0.78 HTR1D (0.58) HTR1DADRA2AADRA2CADRA2BADRA1A
Hydrochloric Acid SCHEMBL11784262 0.77 HTR1D (0.57) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL7033559 0.77 ALOX15 (0.57) HTR1DADRA2AADRA2CADRA2BADRA1A
Hydrochloric Acid SCHEMBL10353910 0.76 ALOX15 (0.56) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL11788752 0.75 HTR1D (0.48) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL4760243 0.75 HTR1D (1.00) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL18236212 0.74 PIM1 (0.49) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6990259 0.73 NISCH (0.54) HTR1DLMNACYP2D6NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 US 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-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 HTR1D 495/4885ADRA2A 123/4885ADRA2C 42/4885

“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.