SCHEMBL5571544

SCHEMBL5571544

CC1(C)CNCCN1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A9 P48067 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL28958265 0.85 CHRM5 (0.32) CHRM5CHRM3
SCHEMBL2396109 0.84 KDM4E (0.32) CHRM5CHRM3
Hydrochloric Acid SCHEMBL4606199 0.84 CHRM5 (0.31) CHRM5CHRM3
SCHEMBL7207583 0.78 SOS1 (0.36)
SCHEMBL21813943 0.77 CHRM5 (0.58) KMT2ACHRM5CHRM3CYP1A2CYP2C19
SCHEMBL7449892 0.75 SOS1 (0.35)
Succinic Acid SCHEMBL14244524 0.74 SOS1 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9801465 0.74 TSHR (0.36)
SCHEMBL9958480 0.74 BIRC2 (0.40) KMT2A
SCHEMBL1394940 0.74

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
EP-1458689-B1 ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES LUNDBECK & CO AS H (DK) 2007-04-11 EP disclosed
US-7067501-B2 Aryloxyphenyl and arylsulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-20050171061-A1 Aryloxyphenyl and arylsulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2005-08-04 US disclosed
EP-1458689-A1 ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-22 EP disclosed
WO-2003053942-A1 ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2003-07-03 WO disclosed
EP-0637304-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-02-08 EP disclosed
WO-1993022303-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-11-11 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 (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-20050171061-A1 Aryloxyphenyl and arylsulfanylphenyl derivatives SLC1A5, SLC6A7, SLC6A19 KMT2A 3754/4885CHRM5 4101/4885CHRM3 3728/4885

“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.