SCHEMBL2852971

SCHEMBL2852971

CC(=O)N1CCCN(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PIK3CD O00329 1/20 0.43
KMT2A Q03164 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
EPHX2 P34913 2/20 0.38
CASP6 P55212 1/20 0.38
GFER P55789 1/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 1/20 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
SCHEMBL2677677 0.93 ALDH1A1 (0.56) CYP1A2TDP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2991648 0.92 CYP1A2 (0.62) CYP1A2TDP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1197207 0.89 CYP1A2 (0.65) CYP1A2TDP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9800 0.87
SCHEMBL21809205 0.87 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TP53HPGD
SCHEMBL3948604 0.87
Hydrochloric Acid SCHEMBL21357350 0.84
SCHEMBL153114 0.84
SCHEMBL2677916 0.83 HTT (0.53) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL3553269 0.81

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 CYP1A2 1874/4885TDP1 3631/4885KDM4E 2869/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 CYP1A2 1874/4885TDP1 3631/4885KDM4E 2869/4885

“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.