SCHEMBL5868081

SCHEMBL5868081

NCC1CCN(C2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
HRH3 Q9Y5N1 2/20 0.41
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
SLC18A3 Q16572 2/20 0.38
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17508766 0.90 NCF1 (0.54) NCF1HRH3CYP2D6
SCHEMBL15045128 0.88 NCF1 (0.52) NCF1HRH3CYP2D6OPRM1OPRL1
SCHEMBL2689734 0.86 NCF1 (0.41) NCF1HRH3PHGDHMGLLSLC18A3
SCHEMBL3637358 0.82 NCF1 (0.41) NCF1HRH3DPP4
SCHEMBL13672013 0.81 NCF1 (0.44) NCF1CYP2D6DPP4HTR6MEN1
SCHEMBL4476349 0.81 NCF1 (0.44) NCF1CYP2D6DPP4HTR6MEN1
SCHEMBL6379437 0.80 NCF1 (0.45) NCF1HRH3
SCHEMBL15045109 0.80 NCF1 (0.75) NCF1HRH3
SCHEMBL29922552 0.79 NCF1 (0.43) NCF1CYP2D6DPP4MEN1KMT2A
SCHEMBL20756700 0.78 NCF1 (0.36) NCF1PHGDHMGLLCYP2D6DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212647-B1 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG A ST CO LTD (KR) 2019-04-03 EP disclosed
US-9834550-B2 Pyridopyrimidinone compounds for modulating the catalytic activity of histone lysine demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-12-05 US disclosed
EP-3212647-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) Dong-A ST Co., Ltd. (KR) 2017-09-06 EP disclosed
WO-2016068580-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2016-05-06 WO disclosed
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2016-05-05 US disclosed
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (3 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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN NCF1 1073/4885HRH3 3734/4885PHGDH 660/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 NCF1 662/4885HRH3 3417/4885PHGDH 1155/4885
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B NCF1 2584/4885HRH3 872/4885PHGDH 746/4885

“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.