SCHEMBL13676451

SCHEMBL13676451

C=NOCCON1CCN(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.42
▸ SIGMAR1 Q99720 5/20 0.42
▸ DRD2 P14416 4/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ TMEM97 Q5BJF2 2/20 0.42
▸ DRD4 P21917 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PHGDH O43175 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL14896053 0.80 CHRNA7 (0.49) CHRNA7SIGMAR1DRD2HTR1AHTR2A
SCHEMBL8550989 0.78 DRD2 (0.56) CHRNA7SIGMAR1DRD2HTR1AHTR2A
SCHEMBL9825418 0.75 HTR1A (0.50) CHRNA7SIGMAR1DRD2HTR1AHTR2A
SCHEMBL740054 0.74 CHRNA7 (0.58) CHRNA7SIGMAR1DRD2HTR1ADRD4
SCHEMBL8780413 0.73 DRD2 (0.50) CHRNA7SIGMAR1DRD2HTR1AHTR2A
SCHEMBL13676457 0.72 — —
SCHEMBL576814 0.70 LMNA (0.67) CHRNA7SIGMAR1DRD2HTR1ADRD4
SCHEMBL164538 0.70 LMNA (0.67) CHRNA7SIGMAR1DRD2HTR1ADRD4
SCHEMBL576454 0.70 LMNA (0.67) CHRNA7SIGMAR1DRD2HTR1ADRD4
SCHEMBL385012 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598386-B2 Sulphones which modulate the action of gamma-secretase MERCK SHARP & DOHME LIMITED (GB) 2009-10-06 — — US disclosed
US-7595344-B2 Sulphones which modulate the action of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2009-09-29 — — US disclosed
US-20090131419-A1 Sulphones which modulate the action of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-05-21 — — US disclosed
US-20070213329-A1 Sulphones which modulate the action of gammasecretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-09-13 — — 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 (2 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-20090131419-A1 Sulphones which modulate the action of gamma secretase BACE1, BACE2, PSEN1 CHRNA7 218/4885SIGMAR1 2504/4885DRD2 3640/4885
US-20070213329-A1 Sulphones which modulate the action of gammasecretase BACE1, PSEN1, BACE2 CHRNA7 129/4885SIGMAR1 2231/4885DRD2 3971/4885

“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.

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