SCHEMBL4552855

SCHEMBL4552855

COCCNC(=O)c1ccccc1.OBO

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.79
SMN1; SMN2 Q16637 4/20 0.67
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
ALDH1A1 P00352 2/20 0.59
POLB P06746 2/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 1/20 0.56
PRSS1 P07477 1/20 0.56
CTSG P08311 1/20 0.56
CTRB1 P17538 1/20 0.56
CMA1 P23946 1/20 0.56
RECQL P46063 1/20 0.54
NAAA Q02083 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL364448 0.95 HPGD (0.87) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30910449 0.85 SMN1; SMN2 (0.87) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15577818 0.85 SMN1; SMN2 (0.87) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4039186 0.84 ALDH1A1 (0.83) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23470985 0.82 HPGD (0.73) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL25970084 0.82 SMN1; SMN2 (0.96) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20734830 0.80 SMN1; SMN2 (1.00) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23470996 0.80 HPGD (0.65) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19196157 0.80 SMN1; SMN2 (0.67) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8331737 0.79 MEN1 (0.68) HPGDSMN1; SMN2NPC1RAB9AALDH1A1

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-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 HPGD 2114/4885SMN1; SMN2 2612/4885NPC1 1064/4885

“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.