SCHEMBL3655207

SCHEMBL3655207

COc1ccc(I)c(CCNC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HPGDS O60760 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL3655127 0.94 MCHR1 (0.42) DRD4SIGMAR1ALDH1A1TSHRRXFP1
SCHEMBL17870707 0.87 DRD4 (0.42) DRD4SIGMAR1ALDH1A1TSHRRXFP1
SCHEMBL3651872 0.86 ALDH1A1 (0.56) ALDH1A1EPHX2
SCHEMBL17870716 0.83 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL17870715 0.83 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL4321000 0.83 ALDH1A1 (0.52) ALDH1A1EPHX2
SCHEMBL3652372 0.83 ALDH1A1 (0.52) ALDH1A1EPHX2
SCHEMBL8420357 0.82 KDM4E (0.54) ALDH1A1TSHRKDM4EGRIN1GRIN2B
SCHEMBL8415856 0.81 KDM4E (0.52) ALDH1A1TSHRKDM4EGRIN1GRIN2B
SCHEMBL4309580 0.81 KMT2A (0.60) SIGMAR1ALDH1A1

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
EP-2200998-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 EP disclosed
WO-2009036117-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 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-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH1, HRH2 DRD4 793/4885SIGMAR1 343/4885ALDH1A1 1280/4885

“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.