SCHEMBL3631411

SCHEMBL3631411

CCOC(=O)CCc1ccc(N)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.44
MAOA P21397 1/20 0.44
TNF P01375 4/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPIB P23284 1/20 0.40
PPIA P62937 1/20 0.40
PPID Q08752 1/20 0.40
PPIG Q13427 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SHMT2 P34897 1/20 0.40

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
SCHEMBL2130827 0.88 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAACYP1A2
Hydrochloric Acid SCHEMBL6982968 0.86 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL1014516 0.86 NPSR1 (0.41) ALDH1A1GAACYP1A2LMNACYP2C9
SCHEMBL16619628 0.85 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL3502904 0.85 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL13564344 0.84 LMNA (0.46) ALDH1A1CYP1A2CYP3A4LMNAMAOA
SCHEMBL14849146 0.84 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL12426803 0.84 GAA (0.53) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL4363215 0.84 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL1549287 0.83 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 CYP4F2 1227/4885CYP4A11 190/4885ALDH1A1 495/4885

“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.