SCHEMBL6715376

SCHEMBL6715376

Cc1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 1/20 0.62
S1PR3 Q99500 1/20 0.62
METAP2 P50579 2/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
EPHX1 P07099 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 3/20 0.57
POLB P06746 2/20 0.57
HPN P05981 6/20 0.57
PLAU P00749 5/20 0.57
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
METAP1 P53582 1/20 0.49
TSHR P16473 1/20 0.49
DHODH Q02127 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL6714050 1.00 HTR1E (0.62) HTR1ES1PR3METAP2NPC1RAB9A
SCHEMBL6714054 1.00 HTR1E (0.62) HTR1ES1PR3METAP2NPC1RAB9A
SCHEMBL20866546 0.84 HTR1E (0.62) HTR1ES1PR3METAP2NPC1RAB9A
SCHEMBL29069770 0.84 EPHX1 (0.59) HTR1ES1PR3METAP2RAB9AEPHX1
SCHEMBL29069766 0.84 EPHX1 (0.59) HTR1ES1PR3METAP2RAB9AEPHX1
Hydrochloric Acid SCHEMBL27150944 0.83 HTR1E (0.63) HTR1ES1PR3METAP2RAB9AEPHX1
Hydrochloric Acid SCHEMBL27150943 0.83 HTR1E (0.63) HTR1ES1PR3METAP2RAB9AEPHX1
SCHEMBL29069834 0.80 AAK1 (0.48) HTR1ES1PR3METAP2NPC1RAB9A
SCHEMBL29069829 0.80 AAK1 (0.48) HTR1ES1PR3METAP2NPC1RAB9A
SCHEMBL26910005 0.80 AAK1 (0.48) HTR1ES1PR3METAP2NPC1RAB9A

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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US 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 (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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 HTR1E 295/4885S1PR3 2698/4885METAP2 633/4885

“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.