SCHEMBL5000276

SCHEMBL5000276

CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
DRD3 P35462 3/20 0.38
OPRM1 P35372 2/20 0.38
DRD2 P14416 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
RAB9A P51151 1/20 0.36
KCNH2 Q12809 3/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL5003993 0.88 MEN1 (0.46) HTR1ADRD3OPRM1DRD2OPRD1
SCHEMBL9187620 0.87 TDP1 (0.39) HTR1ADRD3OPRM1KCNH2CHRM2
SCHEMBL15984647 0.85 KCNH2 (0.51) HTR1ADRD3OPRM1DRD2OPRD1
SCHEMBL8652282 0.83 KCNH2 (0.41) HTR1ADRD3OPRM1DRD2OPRK1
SCHEMBL5003760 0.83 KCNH2 (0.41) HTR1ADRD3OPRM1DRD2OPRK1
SCHEMBL8780860 0.82 TDP1 (0.43)
SCHEMBL5039661 0.82 HTR1A (0.42) HTR1ADRD3OPRM1DRD2OPRD1
SCHEMBL18213635 0.82 HTR1A (0.42) HTR1ADRD3OPRM1DRD2OPRD1
SCHEMBL7067524 0.79 HTT (0.41) OPRM1MEN1KMT2A
SCHEMBL5000404 0.79 KMT2A (0.47) RAB9ATP53CHRM2CHRM1MEN1

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-20080267868-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex NIHON MEDI-PHYSICS, CO., LTD. (JP) 2008-10-30 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-20080267868-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex PNP, SHBG, NPPA HTR1A 663/4885DRD3 3669/4885OPRM1 3180/4885

“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.