SCHEMBL1413402

SCHEMBL1413402

CC(=O)N1CCC(c2cn(S(=O)(=O)c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.57
GNRHR P30968 3/20 0.50
NAMPT P43490 2/20 0.46
ALDH1A1 P00352 1/20 0.44
CXCR4 P61073 1/20 0.44
DRD2 P14416 1/20 0.44
RORC P51449 1/20 0.44
USP5 P45974 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
SCHEMBL1415182 0.92 HTR6 (0.66) HTR6ALDH1A1CXCR4DRD2RORC
SCHEMBL5411264 0.91 HTR6 (0.56) HTR6ALDH1A1CXCR4DRD2RORC
SCHEMBL1413569 0.90 HTR6 (0.55) HTR6ALDH1A1CXCR4RORC
SCHEMBL1413818 0.89 HTR6 (0.54) HTR6ALDH1A1CXCR4RORC
SCHEMBL1413646 0.88 HTR6 (0.53) HTR6NAMPTALDH1A1CXCR4DRD2
SCHEMBL1413510 0.86 HTR6 (0.54) HTR6ALDH1A1CXCR4DRD2RORC
SCHEMBL1413829 0.85 HTR6 (0.52) HTR6NAMPTALDH1A1CXCR4
SCHEMBL1413467 0.84 HTR6 (0.51) HTR6ALDH1A1CXCR4RORC
SCHEMBL1413725 0.83 HTR6 (0.50) HTR6GNRHRNAMPTALDH1A1CXCR4
SCHEMBL1413321 0.83 HTR6 (0.52) HTR6GNRHRALDH1A1CXCR4RORC

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 172/4885GNRHR 1381/4885NAMPT 574/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885GNRHR 1711/4885NAMPT 656/4885

“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.