SCHEMBL12210458

SCHEMBL12210458

Clc1ccc2c(NCCCNC34CC5CC(CC(C5)C3)C4)ccnc2c1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.87
▸ ACHE P22303 2/20 0.87
▸ CCR1 P32246 1/20 0.65
▸ CYP1A2 P05177 1/20 0.61
▸ FERMT2 Q96AC1 4/20 0.60
▸ NR4A2 P43354 1/20 0.56
▸ HRH3 Q9Y5N1 2/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL13353768 0.86 BCHE (0.66) BCHEACHECCR1CYP1A2FERMT2
SCHEMBL2522942 0.81 BCHE (0.70) BCHEACHECCR1CYP1A2FERMT2
SCHEMBL12210450 0.80 ACHE (0.57) BCHEACHECYP1A2
SCHEMBL13758769 0.79 CCR1 (0.86) BCHEACHECCR1CYP1A2FERMT2
SCHEMBL12643220 0.79 CCR1 (0.97) CCR1CYP1A2FERMT2NR4A2HRH3
SCHEMBL15481296 0.79 CCR1 (0.97) CCR1CYP1A2FERMT2NR4A2HRH3
SCHEMBL17527057 0.79 CCR1 (0.97) CCR1CYP1A2FERMT2NR4A2HRH3
SCHEMBL23640948 0.78 CCR1 (0.89) BCHEACHECCR1CYP1A2FERMT2
SCHEMBL18163919 0.78 CCR1 (0.89) BCHEACHECCR1CYP1A2FERMT2
SCHEMBL15095850 0.78 CYP1A2 (0.55) BCHEACHECCR1CYP1A2

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-8481543-B2 Compounds for treating parasitic disease OREGON HEALTH & SCIENCE UNIVERSITY (US) 2013-07-09 — — US disclosed
US-8481543-B2 Compounds for treating parasitic disease OREGON HEALTH & SCIENCE UNIVERSITY (US) 2013-07-09 — — US disclosed
US-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY 2011-10-13 — — US disclosed
US-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY 2011-10-13 — — 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-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE EPX, CFTR, TERT BCHE 493/4885ACHE 1932/4885CCR1 147/4885

“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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