SCHEMBL3296236

SCHEMBL3296236

COC(=O)C1CCC(c2ccc(NC(=O)Nc3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
JAK3 P52333 1/20 0.56
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHX2 P34913 2/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
CDK9 P50750 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL14113548 1.00 ALDH1A1 (0.56) ALDH1A1JAK3NPC1RAB9AKMT2A
SCHEMBL3296229 1.00 ALDH1A1 (0.56) ALDH1A1JAK3NPC1RAB9AKMT2A
SCHEMBL14113538 0.85 NPC1 (0.64) JAK3NPC1RAB9AKMT2ATAAR1
SCHEMBL3303017 0.85 NPC1 (0.64) JAK3NPC1RAB9AKMT2ATAAR1
SCHEMBL181066 0.85 AKR1C3 (0.56) ALDH1A1NPC1RAB9AKMT2ATSHR
SCHEMBL3540595 0.85 AKR1C3 (0.56) ALDH1A1NPC1RAB9AKMT2ATSHR
SCHEMBL3539031 0.82 HDAC3 (0.44) ALDH1A1NPC1RAB9ATSHRDGAT1
SCHEMBL3539034 0.82 HDAC3 (0.44) ALDH1A1NPC1RAB9ATSHRDGAT1
SCHEMBL20599602 0.80 AKR1C3 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3549945 0.80 KDM4E (0.49) ALDH1A1TSHRMAPTGAAMAOA

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 3 patents. 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
EP-2120911-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES Prosidion Limited (GB) 2009-11-25 EP disclosed
WO-2008099221-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2008-08-21 WO 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 ALDH1A1 872/4885JAK3 3029/4885NPC1 630/4885

“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.