SCHEMBL7006358

SCHEMBL7006358

Fc1ccc(CCc2ccccc2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
ABCB1 P08183 3/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
PARK7 Q99497 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G4A P47712 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
SCHEMBL7006014 0.87 ABCB1 (0.46) HTR2AHTR2CABCB1ABCG2MEN1
SCHEMBL7008741 0.77 HTR2A (0.48) HTR2AHTR2CHTR1ADRD2POLB
SCHEMBL3631479 0.76 MAOB (0.36) HTR2AMEN1KMT2AALDH1A1LMNA
SCHEMBL12384374 0.75 L3MBTL1 (0.47) HTR1ADRD2ABCB1ABCG2ALDH1A1
SCHEMBL16191048 0.74 HTR2A (0.51) HTR2AHTR2CHTR1ADRD2ABCB1
SCHEMBL15626909 0.73 TAAR1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2
Bromide SCHEMBL28021569 0.71 TAAR1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8429903 0.71 ALOX15 (0.46) HTR2AHTR2CPOLBRAB9AMEN1
SCHEMBL23124446 0.70 PLA2G1B (0.40) POLBRAB9AKMT2AALDH1A1
SCHEMBL5830123 0.70 PLA2G1B (0.40) POLBRAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183271-B2 Tetrazole derivatives and their use for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-27 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 (2 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 HTR2A 2615/4885HTR2C 1831/4885HTR1A 2921/4885
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases TNNI3, TNNT2, FABP3 HTR2A 4432/4885HTR2C 4151/4885HTR1A 4185/4885

“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.