SCHEMBL926945

SCHEMBL926945

COC(=O)c1cc2c(nc1C)C(COC(=O)Oc1ccc([N+](=O)[O-])cc1)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
FAAH O00519 1/20 0.35
SLC6A3 Q01959 2/20 0.35
P2RX7 Q99572 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL5551035 0.91 HTR2A (0.39) HTR2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL927361 0.75 ACHE (0.41) ALDH1A1KDM4EOPRK1
SCHEMBL7902827 0.74 KDM4E (0.44) ALDH1A1KDM4EOPRK1
SCHEMBL927301 0.74 ACHE (0.41) ALDH1A1KDM4EOPRK1
SCHEMBL927383 0.72 OPRK1 (0.39) ALDH1A1KDM4EMAPTOPRK1
SCHEMBL7913336 0.71 ALDH1A1 (0.32) ALDH1A1KDM4EMAPT
SCHEMBL7911302 0.71 ACHE (0.46) ALDH1A1KDM4EMAPTOPRK1
SCHEMBL7911288 0.70 PLA2G4B (0.42) ALDH1A1KDM4EMAPT
SCHEMBL7912964 0.70 ACHE (0.44) ALDH1A1KDM4EOPRK1
SCHEMBL5017678 0.69 HTR2A (0.50) HTR2AALDH1A1CYP1A2MAPTCYP2D6

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-1849774-B1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD (JP) 2011-06-29 EP disclosed
US-7875625-B2 3-guanidinocarbonyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ylmethyl hydrogen sulfate, inhibitory effect on an Na+/H+ exchanger; TOA EIYO LTD. (JP) 2011-01-25 US disclosed
US-20090012114-A1 Cyclohepta[B]Pyridine-3-Carbonylguanidine Derivative and Pharmaceutical Product Containing Same TOA EIYO LTD. (JP) 2009-01-08 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-20090012114-A1 Cyclohepta[B]Pyridine-3-Carbonylguanidine Derivative and Pharmaceutical Product Containing Same SLC10A6, SLC26A3, SLC9A3 HTR2A 1026/4885ALDH1A1 438/4885ADORA3 264/4885

“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.