SCHEMBL6719477

SCHEMBL6719477

Cc1ccc(NC(=O)C2(N)CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR1E P28566 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
S1PR3 Q99500 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
AKR1B1 P15121 1/20 0.47
LMNA P02545 1/20 0.47
EPHX1 P07099 1/20 0.46
KIF11 P52732 1/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ERAP1 Q9NZ08 1/20 0.45

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
SCHEMBL17368404 0.95 NPC1 (0.49) MAPTCYP3A4CYP2C9CYP2C19HTR1E
SCHEMBL31075519 0.83 HDAC1 (0.51) KDM4ENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL3231788 0.83 HDAC1 (0.55) NPC1RAB9ASMN1; SMN2AKR1B1EPHX1
SCHEMBL28612298 0.83 HDAC1 (0.51) MAPTCYP2C9CYP2C19NPSR1HPGD
SCHEMBL28848245 0.83 MAPT (0.52) MAPTCYP2C19NPSR1KDM4ENPC1
SCHEMBL28668151 0.83 FAAH (0.52) NPSR1HPGDRAB9ASMN1; SMN2LMNA
SCHEMBL38658105 0.83 RAB9A (0.50) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6715811 0.83 RAB9A (0.52) MAPTNPSR1KDM4ENPC1RAB9A
SCHEMBL28848243 0.81 HDAC1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL28674194 0.81 FAAH (0.50) MAPTNPSR1HPGDRAB9ASMN1; SMN2

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
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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 (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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 MAPT 427/4885CYP3A4 591/4885CYP2C9 392/4885
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 MAPT 694/4885CYP3A4 403/4885CYP2C9 304/4885

“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.