SCHEMBL6420993

SCHEMBL6420993

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1cccc2ccccc12)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
HTR4 Q13639 2/20 0.42
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.38
MAPK14 Q16539 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX12 P18054 1/20 0.37
THRB P10828 1/20 0.37
KDM2B Q8NHM5 2/20 0.37
GHSR Q92847 2/20 0.36
F10 P00742 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6420686 0.89 ACHE (0.43) ACHEHTR4KDM4EMAPTALDH1A1
SCHEMBL6420479 0.88 KDM4E (0.42) ACHEHTR4KDM4EMAPTALDH1A1
SCHEMBL6421409 0.87 F10 (0.39) MAPTLMNATHRBF10
SCHEMBL6424181 0.87 F10 (0.39) MAPTLMNATHRBKDM2BF10
SCHEMBL6421191 0.87 ACHE (0.45) ACHEHTR4KDM4EMAPTALDH1A1
SCHEMBL6421727 0.87 ACHE (0.41) ACHEHTR4KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6424224 0.86 ACHE (0.41) ACHEHTR4KDM4EMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL6771560 0.83 ACHE (0.43) ACHEHTR4KDM4EMAPTALDH1A1
SCHEMBL4844324 0.80 F10 (0.52) KDM4EMAPTALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6421911 0.80 ACHE (0.43) ACHEHTR4KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289953-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6784182-B2 AND FACTOR XA INHIBITORS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2004-08-31 US disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 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-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885HTR4 2590/4885KDM4E 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.