Sugi Predict

Sugi Predict / Compounds / SCHEMBL2888042

SCHEMBL2888042

SCHEMBL2888042

CCC(Cl)CCCC(Oc1cc(F)ccc1CCNO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 14/20 0.39
▸ SLC6A2 P23975 11/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ ADRA2B P18089 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ KLF10 Q13118 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL5309993 0.64 SLC6A2 (0.76) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL6492110 0.63 SLC6A4 (0.66) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL7053107 0.63 SLC6A4 (0.77) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL27552160 0.61 ALDH1A1 (0.55) CYP1A2CYP3A4KMT2AHTR2AHRH1
SCHEMBL15778543 0.61 KDM5A (0.49) SLC6A4HTR2A
SCHEMBL14307918 0.60 ADRA2B (0.46) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL1836371 0.60 SLC6A2 (0.46) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL17278093 0.60 SLC7A5 (0.50) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL13743862 0.59 TYR (0.39) SLC6A4CYP3A4TSHRKMT2AHTR2A
SCHEMBL13956694 0.59 TYR (0.39) SLC6A4CYP3A4TSHRKMT2AHTR2A

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-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 — — US disclosed
US-7067694-B2 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2006-06-27 — — US disclosed
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-25 — — US disclosed
US-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 — — 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-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, DDC, AADAT SLC6A4 776/4885SLC6A2 563/4885CYP1A2 613/4885
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives FABP3, PPARD, FABP1 SLC6A4 3502/4885SLC6A2 3076/4885CYP1A2 123/4885

“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.