SCHEMBL5744837

SCHEMBL5744837

CC(=O)CN1CCC(N)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
GNAI3 P08754 2/20 0.35
GNAO1 P09471 2/20 0.35
GNAI1 P63096 2/20 0.35
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
LTA4H P09960 1/20 0.32
TLR4 O00206 1/20 0.31
BIRC2 Q13490 1/20 0.31
P2RX7 Q99572 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL12226499 1.00 HRH2 (0.44) HRH2HRH1SMN1; SMN2GNAI3GNAO1
SCHEMBL12226501 1.00 HRH2 (0.44) HRH2HRH1SMN1; SMN2GNAI3GNAO1
SCHEMBL12226495 0.89 HRH2 (0.37) HRH2HRH1HTTBIRC2
SCHEMBL12226502 0.89 HRH2 (0.37) HRH2HRH1HTTBIRC2
SCHEMBL2718426 0.88 GNAI3 (0.41) HRH2HRH1SMN1; SMN2GNAI3GNAO1
SCHEMBL27820053 0.83 HRH2 (0.40) HRH2HRH1SMN1; SMN2GNAI3GNAO1
SCHEMBL28165014 0.83 HRH2 (0.40) HRH2HRH1SMN1; SMN2GNAI3GNAO1
SCHEMBL28149281 0.83 HRH2 (0.40) HRH2HRH1SMN1; SMN2GNAI3GNAO1
SCHEMBL29954077 0.82 HSD17B10 (0.41) HRH2HRH1SMN1; SMN2GNAI3GNAO1
SCHEMBL2362299 0.82 HSD17B10 (0.41) HRH2HRH1SMN1; SMN2GNAI3GNAO1

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-2920172-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
WO-2014075393-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2014-05-22 WO disclosed
EP-1651635-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 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-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D HRH2 3703/4885HRH1 3933/4885SMN1; SMN2 2414/4885

“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.