SCHEMBL13416759

SCHEMBL13416759

CC(C)N[C@@H](Cc1ccccc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.50
▸ TAAR1 Q96RJ0 5/20 0.50
▸ SLC18A2 Q05940 1/20 0.50
▸ TRPA1 O75762 1/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ CYP2D6 P10635 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL13416485 0.81 SIGMAR1 (0.63) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
SCHEMBL13416383 0.81 SIGMAR1 (0.63) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
SCHEMBL19290098 0.80 SIGMAR1 (0.46) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL5072576 0.78 SIGMAR1 (0.68) SIGMAR1TAAR1SLC18A2SLC6A4CYP2D6
SCHEMBL5072573 0.78 SIGMAR1 (0.68) SIGMAR1TAAR1SLC18A2SLC6A4CYP2D6
SCHEMBL23894006 0.78 TRPA1 (0.42) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
Hydrochloric Acid SCHEMBL7037528 0.77 SIGMAR1 (0.66) SIGMAR1TAAR1SLC18A2SLC6A4CYP2D6
Hydrochloric Acid SCHEMBL7037524 0.77 SIGMAR1 (0.66) SIGMAR1TAAR1SLC18A2SLC6A4CYP2D6
SCHEMBL19565108 0.76 SIGMAR1 (0.47) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
SCHEMBL13884126 0.76 SIGMAR1 (0.47) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 SIGMAR1 1154/4885TAAR1 661/4885SLC18A2 2378/4885

“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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