SCHEMBL12445148

SCHEMBL12445148

O=C1OCCN1c1ccc2c(c1)CCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.46
DYRK1A Q13627 4/20 0.42
DYRK1B Q9Y463 2/20 0.42
DYRK2 Q92630 1/20 0.42
PRKCI P41743 1/20 0.41
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ERN1 O75460 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12445273 0.80 LMNA (0.51) CYP11B2DYRK1ADYRK1BDYRK2PRKCI
SCHEMBL6295383 0.77 HRH3 (0.39) CYP11B2CCNCCDK8SLC9A3HRH3
SCHEMBL807309 0.76 TMEM97 (0.46) RAB9ASIGMAR1TNKSPKM
SCHEMBL26667208 0.74 NPSR1 (0.50) CYP11B2DYRK1ADYRK1BDYRK2PRKCI
SCHEMBL20929480 0.74 HTR6 (0.53)
SCHEMBL6292268 0.74 HRH3 (0.39) CYP11B2CCNCCDK8SLC9A3HRH3
SCHEMBL12445147 0.73 CYP11B2 (0.35) CYP11B2CCNCCDK8SLC9A3HRH3
SCHEMBL21723494 0.72 SLC6A2 (0.48) MAPTSMN1; SMN2
SCHEMBL8349969 0.72 BPTF (0.43) CCNCCDK8TNKS
SCHEMBL2181943 0.71 TNKS (0.47) CCNCCDK8SIGMAR1SLC9A3TNKS

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
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A CYP11B2 583/4885DYRK1A 2447/4885DYRK1B 1725/4885

“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.