SCHEMBL4769588

SCHEMBL4769588

N[C@@H]1CN(Cc2cccc3ccccc23)C[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
TSHR P16473 1/20 0.49
GRM2 Q14416 2/20 0.48
GRM3 Q14832 2/20 0.48
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
CMA1 P23946 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL8228440 1.00 FAAH (0.51) FAAHTSHRGRM2GRM3ACHE
SCHEMBL4769582 1.00 FAAH (0.51) FAAHTSHRGRM2GRM3ACHE
SCHEMBL14278255 1.00 FAAH (0.51) FAAHTSHRGRM2GRM3ACHE
SCHEMBL8199962 0.79 FAAH (0.49) FAAHTSHRGRM2GRM3ACHE
SCHEMBL13223059 0.79 FAAH (0.49) FAAHTSHRGRM2GRM3ACHE
SCHEMBL25256671 0.79 S1PR5 (0.60) ALDH1A1DPP4DPP8
SCHEMBL13223058 0.78 FAAH (0.46) FAAHTSHRGRM2GRM3ACHE
Hydrochloric Acid SCHEMBL9114261 0.77 S1PR5 (0.59) ALDH1A1DPP4DPP8
Hydrochloric Acid SCHEMBL9114256 0.77 S1PR5 (0.59) ALDH1A1DPP4DPP8
Hydrochloric Acid SCHEMBL9114265 0.77 S1PR5 (0.59) ALDH1A1DPP4DPP8

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
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 FAAH 2919/4885TSHR 3678/4885GRM2 3601/4885

“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.