SCHEMBL4012337

SCHEMBL4012337

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.60
HTT P42858 2/20 0.60
TSHR P16473 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56

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
SCHEMBL10187026 0.84 MAPT (0.80) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29979265 0.84 MAPT (0.80) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2692159 0.82 KMT2A (1.00) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13688474 0.81 GNRHR (0.57) MAPTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL4561014 0.79 RORC (0.65) MAPTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL4013966 0.79 MAPT (0.52) MAPTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL13454756 0.79 MEN1 (0.66) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13688468 0.78 GNRHR (0.58) MAPTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL4013940 0.77 MAPT (0.52) MAPTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL29135080 0.77 MEN1 (0.80) MAPTMEN1KMT2ACYP3A4CYP2D6

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 12 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-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 MAPT 542/4885MEN1 157/4885KMT2A 2691/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG MAPT 548/4885MEN1 183/4885KMT2A 2789/4885

“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.