SCHEMBL5340254

SCHEMBL5340254

CCOc1ccc2c(N3CCNCC3)cc(=O)oc2c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.71
PDE3A Q14432 2/20 0.71
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 4/20 0.49
P2RY12 Q9H244 1/20 0.48
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
MAOB P27338 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL5347182 0.87 PDE3B (0.66) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL5342355 0.84 PDE3B (0.63) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9464109 0.76 KDM4E (0.76) KDM4EALDH1A1HPGDMAPTHSD17B10
Dimethylamine SCHEMBL9463919 0.73 KDM4E (0.71) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL7326991 0.69 P2RY12 (0.80) PDE3BPDE3AP2RY12PRKDC
SCHEMBL6156974 0.68 ERAP1 (0.58) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9229883 0.67 PRKDC (0.52) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL6155892 0.67 MAOB (0.58) KDM4EALDH1A1HPGDGAACA12
SCHEMBL9463863 0.66 KDM4E (0.80) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL3805551 0.66 HTR1A (0.61) ALDH1A1MAPTHSD17B10LMNA

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-7312210-B2 Pyrrolo[2,1-c][1,4]benzodiazepine compounds and processes for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-12-25 US disclosed
WO-2007054954-A1 A NOVEL PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRID AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-05-18 WO disclosed
US-20070082891-A1 Novel pyrrolo[2,1-C] [1,4] benzodiazepine compounds and processes for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-04-12 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-20070082891-A1 Novel pyrrolo[2,1-C] [1,4] benzodiazepine compounds and processes for the preparation thereof GABRA1, GABRA4, GABRA2 PDE3B 2044/4885PDE3A 2275/4885KDM4E 402/4885

“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.