SCHEMBL6726017

SCHEMBL6726017

COC(=O)CC1CN(Cc2ccccc2)CC(CC(=O)OC)N1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
S1PR5 Q9H228 2/20 0.47
S1PR1 P21453 1/20 0.47
TSHR P16473 1/20 0.45
FUCA1 P04066 2/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL23388038 0.87 HDAC1 (0.45) NR1H2S1PR5S1PR1TSHRFUCA1
SCHEMBL23415857 0.87 HDAC1 (0.45) NR1H2S1PR5S1PR1TSHRFUCA1
SCHEMBL23458808 0.85 NR1H2 (0.44) NR1H2S1PR5S1PR1TSHR
SCHEMBL123695 0.83 SIGMAR1 (0.61) SIGMAR1
SCHEMBL29030939 0.82 S1PR1 (0.48) NR1H2S1PR5S1PR1TSHRFUCA1
SCHEMBL29030940 0.82 S1PR1 (0.48) NR1H2S1PR5S1PR1TSHRFUCA1
SCHEMBL27007117 0.82 SIGMAR1 (0.48) BCHEACHEMAOBSIGMAR1
SCHEMBL20399604 0.80 GRIN2B (0.46) S1PR5S1PR1BCHEACHEMAOB
SCHEMBL9347804 0.78 NR1H2 (0.49) NR1H2TSHRKMT2A
SCHEMBL31069997 0.78 FUCA1 (0.47) FUCA1ACHESIGMAR1

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-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 NR1H2 1095/4885S1PR5 3137/4885S1PR1 2907/4885

“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.