SCHEMBL8124351

SCHEMBL8124351

Cc1nccn1CCNC(=O)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
EPHX2 P34913 4/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL812138 0.83 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL19706279 0.83 SMN1; SMN2 (0.54) KDM4EALDH1A1EPHX2RAB9ASMN1; SMN2
SCHEMBL19706280 0.83 SMN1; SMN2 (0.54) KDM4EALDH1A1EPHX2RAB9ASMN1; SMN2
SCHEMBL19707136 0.83 SMN1; SMN2 (0.54) KDM4EALDH1A1EPHX2RAB9ASMN1; SMN2
SCHEMBL24220688 0.83 SMN1; SMN2 (0.54) KDM4EALDH1A1EPHX2RAB9ASMN1; SMN2
SCHEMBL17369089 0.79 CYP3A4 (0.54) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL8131223 0.78 ALDH1A1 (0.54) EPHX1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL3038961 0.77 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL811127 0.75 CA12 (0.52) KDM4EALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL3053595 0.75 TP53 (0.57) MAPTTP53TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
EP-2146968-B1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-09-23 EP disclosed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 US disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 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-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: MAPT, SLC10A1, REN EPHX1 2438/4885KDM4E 4666/4885ALDH1A1 547/4885

“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.