SCHEMBL440345

SCHEMBL440345

NCCNC(=O)[C@H]1CC[C@H](c2nnc(-c3ccccc3)[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
TNKS O95271 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
F11 P03951 2/20 0.41
KLKB1 P03952 2/20 0.41
MC4R P32245 1/20 0.40
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PDE2A O00408 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL440346 1.00 KCNH2 (0.43) KCNH2TNKSPARP2MTNR1AMTNR1B
SCHEMBL443117 0.78 ALDH1A1 (0.40) LMNANPC1PKMRAB9ASMN1; SMN2
SCHEMBL407308 0.78 ALDH1A1 (0.40) LMNANPC1PKMRAB9ASMN1; SMN2
SCHEMBL19427933 0.78 NPC1 (0.46) NPC1RAB9AALDH1A1HPGDADORA3
SCHEMBL18845580 0.72 ADORA1 (0.46) NPC1RAB9AADORA3ADORA2AADORA1
SCHEMBL440765 0.71 KDM4E (0.42) MTNR1AMTNR1BLMNANPC1RAB9A
SCHEMBL440764 0.71 KDM4E (0.42) MTNR1AMTNR1BLMNANPC1RAB9A
Hydrochloric Acid SCHEMBL439362 0.71 MC4R (0.51) MTNR1AMTNR1BMC4RLMNANPC1
Hydrochloric Acid SCHEMBL439363 0.71 MC4R (0.51) MTNR1AMTNR1BMC4RLMNANPC1
SCHEMBL4679423 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT KCNH2 3797/4885TNKS 4718/4885PARP2 4547/4885

“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.