SCHEMBL13726832

SCHEMBL13726832

Cc1ccc(CN2CCC[C@@H](C)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.60
▸ HRH3 Q9Y5N1 4/20 0.54
▸ HRH4 Q9H3N8 1/20 0.54
▸ DRD4 P21917 3/20 0.52
▸ TMEM97 Q5BJF2 2/20 0.52
▸ SIGMAR1 Q99720 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ CXCR4 P61073 1/20 0.49

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
SCHEMBL82814 1.00 HPGD (0.60) HPGDHRH3HRH4DRD4TMEM97
SCHEMBL13215734 0.90 HRH3 (0.61) HPGDHRH3HRH4ALDH1A1LMNA
SCHEMBL13727089 0.90 HRH3 (0.61) HPGDHRH3HRH4ALDH1A1LMNA
SCHEMBL19107773 0.90 HRH3 (0.61) HPGDHRH3HRH4ALDH1A1LMNA
SCHEMBL13727922 0.87 GAA (0.58) HRH3HRH4ALDH1A1
SCHEMBL16254956 0.87 GAA (0.58) HRH3HRH4ALDH1A1
SCHEMBL8244556 0.87 HRH3 (0.54) HPGDHRH3HRH4ALDH1A1LMNA
SCHEMBL19851034 0.85 ALDH1A1 (0.56) HPGDHRH3HRH4ALDH1A1POLB
SCHEMBL6189062 0.85 ALDH1A1 (0.59) HPGDHRH3HRH4ALDH1A1LMNA
SCHEMBL12717 0.85 CYP3A4 (0.66) HPGDHRH3HRH4SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203663-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 — — US disclosed
US-20090203663-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 — — 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 (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-20090203663-A1 CHEMICAL COMPOUNDS ITGB5, ITGB1, ITGA2B HPGD 2035/4885HRH3 2121/4885HRH4 2369/4885

“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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