SCHEMBL20656243

SCHEMBL20656243

NCCN1CCN(CCN2CCNC2=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 4/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RET P07949 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL27780 0.90
SCHEMBL22030393 0.89 ALDH1A1 (0.42) SCN9AALDH1A1KDM4EPOLBMAPT
Ammonia Solution, Strong SCHEMBL1579773 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMAPTCYP2C9
SCHEMBL22030391 0.84 ALDH1A1 (0.41) SCN9AALDH1A1KDM4EPOLBMAPT
SCHEMBL14426096 0.82 ALDH1A1 (0.42) SCN9AALDH1A1KDM4EPOLBMAPT
SCHEMBL471725 0.82 ALOX15 (0.41) POLBCYP2C9CYP2C19CYP2D6KMT2A
SCHEMBL13236669 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBMAPTCYP2C9
SCHEMBL23338509 0.81 KMT2A (0.39) SCN9AALDH1A1KDM4EPOLBMAPT
SCHEMBL8406068 0.81 ALOX15 (0.48) ALDH1A1KDM4EPOLBMAPTCYP2C9
SCHEMBL21923029 0.80 ALDH1A1 (0.44) SCN9AALDH1A1KDM4EPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339116-B2 Reactive separation process to convert cyclic alkylene ureas into their corresponding alkylene amines NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2022-05-24 US disclosed
US-11214549-B2 Process for making higher ethylene amines NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2022-01-04 US disclosed
EP-3665154-B1 REACTIVE SEPARATION PROCESS TO CONVERT CYCLIC ALKYLENE UREAS INTO THEIR CORRESPONDING ALKYLENE AMINES NOURYON CHEMICALS INT BV (NL) 2021-05-12 EP disclosed
US-20200361851-A1 REACTIVE SEPARATION PROCESS TO CONVERT CYCLIC ALKYLENE UREAS INTO THEIR CORRESPONDING ALKYLENE AMINES NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-11-19 US disclosed
WO-2020161145-A1 COMPOUNDS WITH AT LEAST ONE CYCLIC UREA MOIETY AND THEIR USE IN CORROSION PREVENTION NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-08-13 WO disclosed
US-20200165207-A1 PROCESS FOR MAKING HIGHER ETHYLENE AMINES NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-05-28 US disclosed
WO-2019011708-A1 PROCESS FOR MAKING HIGHER ETHYLENE AMINES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2019-01-17 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 (4 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-11339116-B2 Reactive separation process to convert cyclic alkylene ureas into their corresponding alkylene amines UTP20, CGAS, UMPS SCN9A 3153/4885ALDH1A1 2104/4885KDM4E 2774/4885
US-11214549-B2 Process for making higher ethylene amines HRH4, HRH3, HRH1 SCN9A 2907/4885ALDH1A1 1957/4885KDM4E 444/4885
US-20200361851-A1 REACTIVE SEPARATION PROCESS TO CONVERT CYCLIC ALKYLENE UREAS INTO THEIR CORRESPONDING ALKYLENE AMINES UTP20, CGAS, UMPS SCN9A 3153/4885ALDH1A1 2104/4885KDM4E 2774/4885
US-20200165207-A1 PROCESS FOR MAKING HIGHER ETHYLENE AMINES HRH4, HRH3, HRH1 SCN9A 2998/4885ALDH1A1 1953/4885KDM4E 419/4885

“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.