SCHEMBL2767207

SCHEMBL2767207

Clc1cc(N2CCNCC2)ccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.59
HTR1A P08908 3/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
ADRB1 P08588 3/20 0.54
HTR6 P50406 6/20 0.53
LRRK2 Q5S007 1/20 0.53
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46

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
SCHEMBL17050468 0.88 MRGPRX4 (0.58) SLC6A4HTR6LRRK2MRGPRX4NPC1
SCHEMBL2766477 0.84 HTR1A (0.59) SLC6A4HTR1ASLC6A2SLC6A3ADRB1
Hydrochloric Acid SCHEMBL8888785 0.83 HTR1A (0.61) SLC6A4HTR1ASLC6A2SLC6A3ADRB1
SCHEMBL19381516 0.82 HTR1A (0.67) SLC6A4HTR1ASLC6A2SLC6A3HTR6
SCHEMBL23259461 0.81 HTR1A (0.55) SLC6A4HTR1ASLC6A2SLC6A3HTR6
SCHEMBL19381132 0.81 HTR1A (0.66) SLC6A4HTR1ASLC6A2SLC6A3HTR6
SCHEMBL1847696 0.80 HTR6 (0.56) SLC6A4HTR1ASLC6A2SLC6A3HTR6
SCHEMBL1845491 0.79 HTR6 (0.59) SLC6A4HTR1ASLC6A2SLC6A3HTR6
SCHEMBL4930887 0.79 HTR6 (0.62) SLC6A4HTR1ASLC6A2SLC6A3ADRB1
SCHEMBL2767154 0.78 ADRB1 (0.56) SLC6A4HTR1AADRB1HTR6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
EP-1627871-B1 CYCLIC AMINOPHENYL SULFAMATE DERIVATIVE ASKA PHARM CO LTD (JP) 2010-04-14 EP disclosed
CN-100467449-C Cyclic aminophenyl sulfamate derivative ASKA PHARM CO LTD (JP) 2009-03-11 CN disclosed
US-7449466-B2 Cyclic aminophenyl sulfamate derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-11 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
US-20060189625-A1 Cyclic aminophenyl sulfamate derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
CN-1823039-A Cyclic aminophenyl sulfamate derivative ASKA PHARM CO LTD (JP) 2006-08-23 CN disclosed
EP-1627871-A1 CYCLIC AMINOPHENYL SULFAMATE DERIVATIVE Teikoku Hormone Mfg. Co., Ltd. (JP) 2006-02-22 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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 (2 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-20060189625-A1 Cyclic aminophenyl sulfamate derivative SHBG, STS, ARSA SLC6A4 1148/4885HTR1A 2511/4885SLC6A2 1829/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 SLC6A4 3920/4885HTR1A 2254/4885SLC6A2 3978/4885

“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.