SCHEMBL7263383

SCHEMBL7263383

CCC(NC(C)(C)CO)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
TGFBR1 P36897 3/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2B6 P20813 1/20 0.33
POLB P06746 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MME P08473 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
Hydrochloric Acid SCHEMBL7262733 0.98 CA2 (0.36) CA2MAPK1TGFBR1CHRM1AKR1A1
SCHEMBL28592770 0.82 CA2 (0.38) CA2TDP1MMESMN1; SMN2FOLH1
SCHEMBL12594017 0.80 CA2 (0.37) CA2MAPK1POLBCTSSCTSK
SCHEMBL17245269 0.80 CA2 (0.37) CA2MAPK1POLBCTSSCTSK
Hydrochloric Acid SCHEMBL5348872 0.78 CA2 (0.35) CA2MAPK1POLBCTSSCTSK
SCHEMBL6888445 0.76 CA2 (0.44) CA2MAPK1SLC1A2SLC1A1MAPT
SCHEMBL7270355 0.72 CYP2B6 (0.34) CA2CYP2B6
SCHEMBL31446060 0.72 GRN (0.39) TGFBR1POLBCTSSCTSKMME
SCHEMBL112740 0.69 KDM4E (0.41) CA2MAPK1TGFBR1CHRM1AKR1A1
SCHEMBL14110644 0.69 KDM4E (0.41) CA2MAPK1TGFBR1CHRM1AKR1A1

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-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 US disclosed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 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-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 CA2 224/4885MAPK1 2193/4885TGFBR1 2477/4885

“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.