SCHEMBL5868062

SCHEMBL5868062

O=C(CNc1ccccc1)NCCC1CCN(C2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.46
HRH3 Q9Y5N1 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HIF1A Q16665 1/20 0.43
ACHE P22303 1/20 0.43
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL5867880 0.88 EPHX1 (0.48) HRH3KDM4EALDH1A1HDAC3HDAC4
SCHEMBL5868025 0.84 ACHE (0.46) CHRM4ACHETPSAB1TPSD1TPSG1
SCHEMBL5868119 0.81 ALDH1A1 (0.48) CHRM4HRH3ALDH1A1ACHETPSAB1
SCHEMBL5867975 0.78 BRD4 (0.46) KDM4EALDH1A1MAPTACHE
SCHEMBL5867936 0.73 CYP1A2 (0.53) HRH3KDM4EALDH1A1MAPTACHE
SCHEMBL1531645 0.72 EPHX1 (0.64) KDM4EALDH1A1
SCHEMBL5868050 0.72 CHRM4 (0.44) CHRM4HRH3ACHETPSAB1TPSD1
SCHEMBL5868223 0.71 GRIN2B (0.47) HRH3
SCHEMBL5868147 0.71 HRH3 (0.41) HRH3KDM4EALDH1A1KCNH2
SCHEMBL23975358 0.69 NAMPT (0.54) ALDH1A1

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-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 (2 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 CHRM4 4583/4885HRH3 3734/4885KDM4E 2936/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CHRM4 4737/4885HRH3 3417/4885KDM4E 3503/4885

“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.