SCHEMBL4258149

SCHEMBL4258149

Cc1cc(F)ccc1C(C#N)CCOC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KDM4C Q9H3R0 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX3 P56373 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GRM5 P41594 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
OPRL1 P41146 1/20 0.30

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
SCHEMBL4255068 0.92 L3MBTL1 (0.39) L3MBTL1KDM4CHTR2AHTR2CSLC6A4
SCHEMBL4255072 0.83 L3MBTL1 (0.36) L3MBTL1HTR2AHTR2CSLC6A4NPC1
SCHEMBL4263016 0.82 L3MBTL1 (0.45) L3MBTL1KDM4CHTR2AHTR2CSLC6A4
SCHEMBL5199433 0.79 KDM4C (0.38) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL7674634 0.77 L3MBTL1 (0.40) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL3466586 0.74 L3MBTL1 (0.38) L3MBTL1KDM4CSLC6A4NPC1RAB9A
SCHEMBL8120271 0.74 KDM4C (0.37) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL7676368 0.73 MEN1 (0.38) L3MBTL1KDM4CSLC6A4NPC1RAB9A
SCHEMBL4630703 0.73 SLC6A3 (0.45) L3MBTL1KDM4CSLC6A4NPC1RAB9A
SCHEMBL8350985 0.72 KDM4C (0.49) L3MBTL1KDM4CSLC6A4NPC1RAB9A

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 5 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
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 L3MBTL1 4844/4885KDM4C 296/4885HTR2A 88/4885

“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.