SCHEMBL5867975

SCHEMBL5867975

CN1CCC(N2CCC(CNC(=O)CNc3ccccc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
METAP2 P50579 1/20 0.44
NAMPT P43490 2/20 0.44
MAPT P10636 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
CCR3 P51677 1/20 0.42
BCHE P06276 1/20 0.42
CCR2 P41597 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
USP5 P45974 1/20 0.41
CHRM2 P08172 1/20 0.41
ACHE P22303 1/20 0.41
BDKRB1 P46663 1/20 0.41
KDM1A O60341 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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 0.89 EPHX1 (0.48) BRD4BCHECCR2L3MBTL1ALDH1A1
SCHEMBL5868025 0.81 ACHE (0.46) CARM1PRMT6BCHEACHE
SCHEMBL5868447 0.80 ALDH1A1 (0.50) BRD4METAP2CARM1PRMT6CCR2
SCHEMBL5868062 0.78 CHRM4 (0.46) MAPTALDH1A1ACHEKDM4E
Hydrochloric Acid SCHEMBL4832679 0.77 ACHE (0.54) MAPTL3MBTL1ALDH1A1ACHEKDM1A
SCHEMBL1531645 0.77 EPHX1 (0.64) ALDH1A1KDM4E
SCHEMBL6217208 0.77 ACHE (0.59) MAPTL3MBTL1ALDH1A1USP5ACHE
SCHEMBL5867964 0.76 KDM4E (0.70) BRD4NAMPTKDM1AKDM4EPKM
SCHEMBL5868223 0.75 GRIN2B (0.47) CCR2
SCHEMBL5868061 0.74 CYP2D6 (0.50) BRD4MAPTALDH1A1KDM4E

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 BRD4 4351/4885METAP2 303/4885NAMPT 1047/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 BRD4 4431/4885METAP2 346/4885NAMPT 2193/4885

“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.