SCHEMBL4259971

SCHEMBL4259971

c1ccc(C(c2ccccc2)N2CC(N3CCC4(CC3)OCCO4)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRL1 P41146 8/20 0.41
OPRM1 P35372 7/20 0.41
OPRK1 P41145 6/20 0.41
OPRD1 P41143 5/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TACR1 P25103 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
Hydrochloric Acid SCHEMBL6000644 0.91 ALDH1A1 (0.41) L3MBTL1L3MBTL3ALDH1A1TSHRKMT2A
SCHEMBL6948721 0.80 L3MBTL3 (0.53) L3MBTL1L3MBTL3ALDH1A1KMT2AOPRL1
SCHEMBL3263017 0.78 L3MBTL3 (0.72) L3MBTL1L3MBTL3KMT2AOPRL1OPRM1
SCHEMBL3069120 0.78 L3MBTL3 (0.67) L3MBTL1L3MBTL3ALDH1A1KMT2AOPRL1
SCHEMBL3311978 0.77 L3MBTL3 (0.70) L3MBTL1L3MBTL3KMT2AOPRL1OPRM1
SCHEMBL6840171 0.77 L3MBTL3 (0.70) L3MBTL1L3MBTL3KMT2AOPRL1OPRM1
SCHEMBL5335104 0.77 L3MBTL3 (0.41) L3MBTL1L3MBTL3ALDH1A1TSHRKMT2A
SCHEMBL5305801 0.76 OPRL1 (0.52) L3MBTL1L3MBTL3OPRL1OPRM1OPRK1
SCHEMBL5745494 0.74 CHRM2 (0.66) L3MBTL1L3MBTL3ALDH1A1TSHRKMT2A
SCHEMBL4257542 0.74 L3MBTL3 (0.53) L3MBTL1L3MBTL3ALDH1A1KMT2AOPRL1

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-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 L3MBTL1 4844/4885L3MBTL3 4858/4885ALDH1A1 1254/4885

“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.