SCHEMBL4013940

SCHEMBL4013940

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CC(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CXCR4 P61073 1/20 0.52
ALDH1A1 P00352 1/20 0.49
NAMPT P43490 1/20 0.47
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
CA2 P00918 2/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.43
USP5 P45974 1/20 0.43
GNRHR P30968 1/20 0.43
TGM2 P21980 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL4013966 0.89 MAPT (0.52) MAPTCYP2C19KMT2AMEN1CYP3A4
SCHEMBL14399794 0.85 MAPT (0.47) MAPTCYP2C19KMT2AMEN1CYP3A4
SCHEMBL4005289 0.84 NAMPT (0.60) MAPTCYP2C19KMT2AMEN1CYP3A4
SCHEMBL13689714 0.79 NAMPT (0.43) MAPTCYP2C19KMT2AMEN1CYP3A4
SCHEMBL14399750 0.79 MEN1 (0.53) CYP2C19KMT2AMEN1CYP3A4CYP2D6
SCHEMBL4012337 0.77 MAPT (0.74) MAPTCYP2C19KMT2AMEN1CYP3A4
SCHEMBL13688474 0.75 GNRHR (0.57) MAPTCYP2C19KMT2AMEN1CYP3A4
SCHEMBL13688476 0.74 GNRHR (0.55) MAPTCYP2C19KMT2AMEN1CYP3A4
SCHEMBL13688472 0.74 GNRHR (0.55) MAPTCYP2C19KMT2AMEN1CYP3A4
SCHEMBL12810549 0.73 CA1 (0.40) KMT2AMEN1SMN1; SMN2LMNACA2

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 542/4885CYP2C19 1681/4885KMT2A 2691/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG MAPT 548/4885CYP2C19 1579/4885KMT2A 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.