SCHEMBL3303482

SCHEMBL3303482

Nc1ccc(C2CCC(C(=O)N3CCC(O)CC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.48
SLC18A3 Q16572 1/20 0.44
HTR2B P41595 1/20 0.44
NAMPT P43490 2/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
LSS P48449 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38

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
SCHEMBL3634211 0.91 SLC18A3 (0.49) DGAT1SLC18A3HTR2BNAMPTALDH1A1
SCHEMBL3304712 0.88 HPGD (0.55) SLC18A3HTR2BALDH1A1TDP1HPGD
SCHEMBL3303476 0.86 PARP10 (0.48) DGAT1HTR2BNAMPTESR2HPGD
SCHEMBL3810068 0.85 SLC18A3 (0.54) DGAT1SLC18A3HTR2BNAMPTALDH1A1
SCHEMBL3297763 0.84 HTT (0.53) HTR2BNAMPTTDP1CNR1
SCHEMBL3809829 0.82 SLC18A3 (0.51) DGAT1SLC18A3HTR2BNAMPT
SCHEMBL520567 0.81 NAMPT (0.55) SLC18A3NAMPTSMYD3
SCHEMBL3816677 0.81 SLC18A3 (0.46) DGAT1SLC18A3HTR2BNAMPT
SCHEMBL3668526 0.78 HTR2B (0.49) DGAT1SLC18A3HTR2BNAMPTSMYD3
SCHEMBL6906434 0.77 ESR2 (0.65) DGAT1SLC18A3ESR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 DGAT1 84/4885SLC18A3 3159/4885HTR2B 3738/4885

“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.