SCHEMBL1452078

SCHEMBL1452078

CC1=Cc2c(cc3c(c2Br)CCCC3)C1CCC1=Cc2ccccc2C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL1452918 0.90 ACHE (0.39) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1453697 0.81 ACHE (0.34) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1452490 0.81
SCHEMBL1452972 0.79
SCHEMBL1452334 0.78
SCHEMBL1452642 0.78 ACHE (0.32) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1452145 0.78 HTR6 (0.32)
SCHEMBL1452320 0.77 ACHE (0.37) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1453702 0.76 NPC1 (0.31)
SCHEMBL1453429 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 HTR1A 3242/4885HTR2A 4085/4885HTR7 3598/4885

“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.