SCHEMBL3689963

SCHEMBL3689963

CCCNCCOc1ccc2c(ccn2C(C)C(=O)OCC)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.40
ITGAV P06756 5/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LTA4H P09960 4/20 0.37
CARM1 Q86X55 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HTR6 P50406 1/20 0.36
HDAC1 Q13547 1/20 0.36
MCL1 Q07820 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PPARG P37231 1/20 0.36
ITGB5 P18084 1/20 0.36
ADRB3 P13945 1/20 0.35

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
SCHEMBL3683044 0.85 NPSR1 (0.42) ITGB3ITGAVNPSR1MCL1AKR1C3
SCHEMBL3692153 0.81 S1PR1 (0.41) ITGB3ITGAV
SCHEMBL3686011 0.79 ITGB3 (0.38) ITGB3ITGAVLTA4HMTNR1AMTNR1B
SCHEMBL3688245 0.78 LMNA (0.54) HDAC1
SCHEMBL6108493 0.77 HTT (0.41) NPSR1PPARG
SCHEMBL3687718 0.77 CA12 (0.47) ITGB3ITGAVHTR6HDAC1
SCHEMBL1995408 0.76 ITGB3 (0.41) ITGB3ITGAVMTNR1AMTNR1BHDAC1
SCHEMBL3681424 0.75 GAA (0.40)
SCHEMBL6110595 0.75 PPARG (0.41) NPSR1PPARG
SCHEMBL16627489 0.74 FPR2 (0.45) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 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 (1 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG ITGB3 4630/4885ITGAV 4603/4885NPSR1 466/4885

“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.