SCHEMBL991948

SCHEMBL991948

CC1CCC(NCC(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
METAP1 P53582 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
ADRA2A P08913 1/20 0.36
KDM1A O60341 1/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
DPP4 P27487 3/20 0.34
DPP7 Q9UHL4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1908528 0.89
Hydrochloric Acid SCHEMBL2715582 0.87
SCHEMBL994220 0.81 EPHX2 (0.46) METAP1TDP1KDM1ATSHRDPP4
SCHEMBL6127326 0.81 EPHX2 (0.46) METAP1TDP1KDM1ATSHRDPP4
SCHEMBL14081440 0.81 EPHX1 (0.44) EPHX1METAP1ALDH1A1KDM4ETDP1
SCHEMBL5988138 0.81 EPHX1 (0.44) EPHX1METAP1ALDH1A1KDM4ETDP1
SCHEMBL750354 0.81 METAP1 (0.40) METAP1KDM1ADPP4DPP7
SCHEMBL11922743 0.80
SCHEMBL991936 0.80 DPP4 (0.43) EPHX1ALDH1A1KDM4ESMN1; SMN2DPP4
SCHEMBL14654899 0.80 EPHX1 (0.40) EPHX1METAP1ALDH1A1KDM4ETDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP claimed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO claimed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-28 US 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-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF MC5R, MC4R, OPRD1 EPHX1 1192/4885METAP1 322/4885ALDH1A1 338/4885

“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.