SCHEMBL7264181

SCHEMBL7264181

CCC[C@H](NCCO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GGT1 P19440 2/20 0.42
NOD1 Q9Y239 2/20 0.39
FPR2 P25090 1/20 0.38
TGFBR1 P36897 2/20 0.37
MME P08473 1/20 0.35
FOLH1 Q04609 1/20 0.35
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL23642745 0.88 CHRM1 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8413851 0.87 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL148236 0.87 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL30931409 0.87 GGT1 (0.47) GGT1NOD1TGFBR1FOLH1
SCHEMBL31285123 0.85 NOD1 (0.51) NOD1FOLH1FAAH
SCHEMBL148705 0.85 GGT1 (0.46) GGT1NOD1TGFBR1FOLH1
SCHEMBL29372593 0.83 GGT1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6552817 0.83 GGT1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL23130995 0.83 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8063770 0.83 GGT1 (0.36) ADRA1ATDP1GGT1TGFBR1FOLH1

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 CHRM1 109/4885AKR1A1 845/4885CHRM3 92/4885

“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.