SCHEMBL1413604

SCHEMBL1413604

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(C(=O)CN3CCOCC3)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.45
NAMPT P43490 1/20 0.44
CXCR4 P61073 1/20 0.44
TNFSF11 O14788 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PLK1 P53350 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
SCHEMBL1413693 0.92 ALDH1A1 (0.50) LMNAALDH1A1KMT2ANAMPTCXCR4
SCHEMBL1413704 0.84 HTR6 (0.56) LMNANPSR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1413330 0.82 LMNA (0.60) LMNAALDH1A1KMT2ASMN1; SMN2CXCR4
SCHEMBL1413646 0.81 HTR6 (0.53) LMNANPSR1ALDH1A1KMT2ANAMPT
SCHEMBL12810538 0.81 MAPK1 (0.44) LMNAALDH1A1CXCR4TNFSF11PLK1
SCHEMBL1413348 0.81 MAPK1 (0.46) LMNAALDH1A1KMT2ASMN1; SMN2CXCR4
SCHEMBL1413511 0.80 HTR6 (0.52) ALDH1A1NAMPTCXCR4TNFSF11MAPT
SCHEMBL1413705 0.78 CXCR4 (0.54) LMNAALDH1A1KMT2ACXCR4MAPT
SCHEMBL1413651 0.78 CXCR4 (0.54) LMNAALDH1A1KMT2ACXCR4TNFSF11
SCHEMBL1413324 0.78 CXCR4 (0.54) LMNAALDH1A1KMT2ACXCR4TNFSF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
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
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 LMNA 1948/4885NPSR1 44/4885ALDH1A1 3227/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG LMNA 2183/4885NPSR1 49/4885ALDH1A1 3181/4885

“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.