SCHEMBL4009399

SCHEMBL4009399

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3cncnc3)c3ccccc32)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CCR1 P32246 9/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HTR6 P50406 3/20 0.40

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
SCHEMBL1413660 0.86 CXCR4 (0.48) MAPTCCR1ALDH1A1DGAT2LMNA
Hydrochloric Acid SCHEMBL4009397 0.85 CXCR4 (0.48) MAPTCCR1ALDH1A1DGAT2LMNA
SCHEMBL12810342 0.78 ALDH1A1 (0.49) ALDH1A1DGAT2LMNAHTR6
Hydrochloric Acid SCHEMBL1413802 0.78 ALDH1A1 (0.48) ALDH1A1DGAT2LMNAHTR6
SCHEMBL1413651 0.76 CXCR4 (0.54) MAPTALDH1A1LMNAHTR6
SCHEMBL1413723 0.76 CXCR4 (0.49) MAPTALDH1A1LMNAHTR6
SCHEMBL1413819 0.76 HTR6 (0.60) ALDH1A1DGAT2HTR6
SCHEMBL1413794 0.76 CA1 (0.47) MAPTHTTDGAT2LMNAHTR6
SCHEMBL1413828 0.76 HTR6 (0.58) MAPTALDH1A1LMNAHTR6
SCHEMBL1413841 0.75 CXCR4 (0.50) MAPTALDH1A1DGAT2LMNAHTR6

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-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 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-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG MAPT 548/4885CCR1 136/4885KDM4E 2897/4885

“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.