SCHEMBL5650375

SCHEMBL5650375

COC(=O)CCCCN1C(=O)N(Cc2ccc3ccc(C=NN)cc3c2)C(=O)C1(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.35
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TYR P14679 1/20 0.33
PTPN1 P18031 3/20 0.32
ACP1 P24666 2/20 0.32
PTPN2 P17706 1/20 0.32
HTR1A P08908 4/20 0.32
HTR6 P50406 4/20 0.32
HTR7 P34969 3/20 0.32
AGTR1 P30556 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP3 P42574 1/20 0.31

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
SCHEMBL6098666 0.98 OPRL1 (0.35) OPRL1MEN1CYP3A4KMT2ACYP2D6
SCHEMBL5647474 0.93 GRM4 (0.35) KMT2APTPN1HTR1AHTR6
SCHEMBL5647983 0.92 GRM4 (0.34) KMT2APTPN1HTR1AHTR6
SCHEMBL5650137 0.92 GRM4 (0.34) KMT2APTPN1HTR1AHTR6
SCHEMBL5647961 0.92 HTR1A (0.33) MEN1CYP3A4KMT2ACYP2D6CYP2C9
SCHEMBL5646512 0.91 HTR1A (0.35) MEN1CYP3A4KMT2ACYP2D6CYP2C9
SCHEMBL5645746 0.91 HTR1A (0.35) PTPN1ACP1HTR1AHTR6HTR7
SCHEMBL5650645 0.91 HTR1A (0.35) MEN1CYP3A4KMT2ACYP2D6CYP2C9
SCHEMBL5648950 0.91 HTR1A (0.35) PTPN1ACP1HTR1AHTR6HTR7
SCHEMBL5646880 0.91 GRM4 (0.37) KMT2APTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199146-B2 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-03 US disclosed
US-20060142363-A1 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 US disclosed
US-7053112-B2 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-30 US disclosed
US-20040122073-A1 Imidazolidinedione analogs useful as anticoagulants and antihrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 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-20040122073-A1 Imidazolidinedione analogs useful as anticoagulants and antihrombotics SERPINC1, F2, BDKRB1 OPRL1 3903/4885MEN1 795/4885CYP3A4 167/4885
US-20060142363-A1 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SERPINC1, F2, BDKRB1 OPRL1 4078/4885MEN1 593/4885CYP3A4 219/4885

“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.