SCHEMBL1413801

SCHEMBL1413801

O=C(NCC1CC1)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.50
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 1/20 0.45
MAPK1 P28482 1/20 0.44
USP30 Q70CQ3 1/20 0.44
TNFSF11 O14788 1/20 0.43
DRD2 P14416 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL1413799 0.98 HTR6 (0.50) HTR6LMNASMN1; SMN2KDM4EHTT
SCHEMBL1413680 0.96 HTR6 (0.50) HTR6LMNASMN1; SMN2KDM4EHTT
SCHEMBL1413824 0.94 HTR6 (0.48) HTR6LMNASMN1; SMN2KDM4EHTT
SCHEMBL1413691 0.94 HTR6 (0.48) HTR6LMNASMN1; SMN2KDM4EHTT
SCHEMBL1413480 0.92 HTR6 (0.52) HTR6USP30TNFSF11DRD2CA2
SCHEMBL4005238 0.88 KMT2A (0.53) SMN1; SMN2NAMPTALDH1A1POLBHPGD
SCHEMBL1413734 0.88 KMT2A (0.53) SMN1; SMN2NAMPTALDH1A1POLBHPGD
SCHEMBL12810404 0.88 KMT2A (0.53) SMN1; SMN2NAMPTALDH1A1POLBHPGD
SCHEMBL1413902 0.87 HPGD (0.49) HTR6SMN1; SMN2NAMPTALDH1A1POLB
SCHEMBL1413758 0.87 HTR6 (0.43) HTR6LMNASMN1; SMN2KDM4EHTT

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 HTR6 172/4885LMNA 1948/4885SMN1; SMN2 546/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885LMNA 2183/4885SMN1; SMN2 628/4885

“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.