SCHEMBL5868061

SCHEMBL5868061

O=C(CNc1ccccc1)NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
GRIN2B Q13224 2/20 0.50
F10 P00742 8/20 0.46
BRD4 O60885 1/20 0.44
ROCK2 O75116 1/20 0.44
GRK2 P25098 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LSS P48449 1/20 0.43
ITGB3 P05106 1/20 0.43

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
SCHEMBL7091228 0.83 F10 (0.54) CYP2D6CYP2C9GRIN2BF10KDM4E
SCHEMBL7086594 0.81 KDM4E (0.65) GRIN2BF10KDM4EALDH1A1HPGD
SCHEMBL785158 0.81 F10 (0.53) F10ITGB3ITGA2B
SCHEMBL1675734 0.77 F10 (0.54) F10CKS1BSKP1SKP2
SCHEMBL5224676 0.77 HDAC3 (0.48) F10
SCHEMBL5867880 0.77 EPHX1 (0.48) BRD4KDM4EALDH1A1
SCHEMBL5868447 0.77 ALDH1A1 (0.50) F10BRD4KDM4EALDH1A1
SCHEMBL6374899 0.77 NPC1 (0.56) F10KDM4EALDH1A1MAPT
SCHEMBL1531645 0.77 EPHX1 (0.64) KDM4EALDH1A1HPGD
SCHEMBL5224681 0.76 F10 (0.45) F10LSSITGB3ITGA2B

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 CYP2D6 3067/4885CYP2C9 2658/4885GRIN2B 4207/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CYP2D6 2052/4885CYP2C9 2235/4885GRIN2B 4499/4885

“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.