SCHEMBL7119730

SCHEMBL7119730

OC1c2ccccc2CC1(Cc1ccccc1)C1=Cc2ccccc2C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
DRD2 P14416 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15600586 1.00 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL15600585 1.00 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL15600620 1.00 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL15600584 1.00 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL15600618 1.00 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL15600612 1.00 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL14669650 0.90 MAOA (0.35) MAOAMAOB
SCHEMBL14669811 0.90 MAOA (0.35) MAOAMAOB
SCHEMBL14663875 0.90 MAOA (0.35) MAOAMAOB
SCHEMBL14669496 0.90 MAOA (0.35) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865419-B1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE VENANTIUS LTD (IE) 2003-08-06 EP claimed
US-6300376-B1 FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY VENANTIUS LIMITED (IR) 2001-10-09 US claimed
EP-2864279-B1 COMPOUNDS FOR USE IN THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASE VENANTIUS LTD (IE) 2016-11-02 EP disclosed
US-20150141523-A1 COMPOUNDS FOR USE IN THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASE VENANTIUS LIMITED (IE) 2015-05-21 US disclosed
US-20150141523-A1 COMPOUNDS FOR USE IN THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASE VENANTIUS LIMITED (IE) 2015-05-21 US disclosed
WO-2013174917-A1 COMPOUNDS FOR USE IN THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASE VENANTIUS LIMITED (IE) 2013-11-28 WO disclosed
EP-0865419-B1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE VENANTIUS LTD (IE) 2003-08-06 EP disclosed
US-6300376-B1 FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY VENANTIUS LIMITED (IR) 2001-10-09 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-20150141523-A1 COMPOUNDS FOR USE IN THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASE CD4, NFATC1, TPMT SIGMAR1 4265/4885HTR2A 4838/4885HTR2C 4786/4885

“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.