SCHEMBL4434199

SCHEMBL4434199

CCOC(=O)CN(C(=O)CN)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.52
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42

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
Hydrochloric Acid SCHEMBL4434198 0.98 SMN1; SMN2 (0.56) SMN1; SMN2GAAKDM4EALDH1A1TSHR
SCHEMBL6901552 0.87 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1TSHR
SCHEMBL7174025 0.86 SMN1; SMN2 (0.56) SMN1; SMN2GAAKDM4EALDH1A1TSHR
SCHEMBL20169531 0.86 SMN1; SMN2 (0.59) SMN1; SMN2GAAKDM4EALDH1A1TSHR
SCHEMBL11437661 0.86 SMN1; SMN2 (0.59) SMN1; SMN2GAAKDM4EALDH1A1TSHR
SCHEMBL2635519 0.84 SMN1; SMN2 (0.57) SMN1; SMN2GAAKDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL5967266 0.84 MLYCD (0.48) SMN1; SMN2GAAALDH1A1TSHRGLA
SCHEMBL5807041 0.84 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1TSHR
SCHEMBL28810656 0.84 PPARG (0.47) SMN1; SMN2GAAKDM4EALDH1A1TSHR
SCHEMBL9298715 0.83 SMN1; SMN2 (0.45) SMN1; SMN2GAAALDH1A1TSHRGLA

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 SMN1; SMN2 2612/4885GAA 86/4885KDM4E 647/4885

“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.