SCHEMBL7007402

SCHEMBL7007402

C=CCOC(=O)N1CC(=O)C[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
NPSR1 Q6W5P4 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
FAAH O00519 3/20 0.32
ERN1 O75460 2/20 0.32
MGLL Q99685 1/20 0.32
CHRM1 P11229 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
ACE P12821 2/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8152835 0.85 CYP19A1 (0.58) CYP19A1NPSR1SIGMAR1FAAHERN1
SCHEMBL7004961 0.82 CYP19A1 (0.43) CYP19A1NPSR1SIGMAR1FAAHERN1
SCHEMBL7842652 0.82 CYP19A1 (0.43) CYP19A1NPSR1SIGMAR1FAAHERN1
SCHEMBL7004957 0.82 CYP19A1 (0.43) CYP19A1NPSR1SIGMAR1FAAHERN1
SCHEMBL7842654 0.82 CYP19A1 (0.43) CYP19A1NPSR1SIGMAR1FAAHERN1
SCHEMBL7842649 0.82 CYP19A1 (0.43) CYP19A1NPSR1SIGMAR1FAAHERN1
SCHEMBL18190855 0.77 RAB9A (0.57) RAB9ACYP3A4ACEGAA
SCHEMBL18190854 0.77 RAB9A (0.57) RAB9ACYP3A4ACEGAA
SCHEMBL6017672 0.75 GBA2 (0.39) RAB9AACESMN1; SMN2
SCHEMBL5702051 0.75 RAB9A (0.48) CYP19A1SIGMAR1CHRM1RAB9AELANE

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-20030195196-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-10-16 US disclosed
EP-1109811-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2003-08-06 EP disclosed
US-6562806-B1 A prodrug may be converted into an antitumour agent under the influence of an enzyme that is linked to a monoclonal antibody so that it can bind to a tumour associated antigen SPIROGEN LIMITED (GB) 2003-05-13 US disclosed
EP-1109811-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
WO-2000012507-A2 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 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-20030195196-A1 Pyrrolobenzodiazepines CNR2, CNR1, HRH3 CYP19A1 4672/4885NPSR1 4/4885SIGMAR1 48/4885

“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.