SCHEMBL2113265

SCHEMBL2113265

ON=CCCc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
AKR1B1 P15121 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADRA2A P08913 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL2115066 1.00 TAAR1 (0.47) TAAR1AKR1B1SMN1; SMN2ADRA2AKMT2A
SCHEMBL2113264 1.00 TAAR1 (0.47) TAAR1AKR1B1SMN1; SMN2ADRA2AKMT2A
SCHEMBL27363588 0.88 TAAR1 (0.56) TAAR1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL2116651 0.79 AKR1B1 (0.42) TAAR1AKR1B1SMN1; SMN2ADRA2AKMT2A
SCHEMBL2116652 0.79 AKR1B1 (0.42) TAAR1AKR1B1SMN1; SMN2ADRA2AKMT2A
SCHEMBL10325016 0.77 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2ADRA2AKMT2A
SCHEMBL6623465 0.76 TAAR1 (0.42) TAAR1AKR1B1SMN1; SMN2LMNAALDH1A1
SCHEMBL6623467 0.76 TAAR1 (0.42) TAAR1AKR1B1SMN1; SMN2LMNAALDH1A1
SCHEMBL1989705 0.72 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2KMT2AMEN1
SCHEMBL97848 0.72 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2ADRA2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
EP-1962838-B1 FARNESOID X RECEPTOR AGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-28 EP disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
EP-1962838-A2 FARNESOID X RECEPTOR AGONISTS Smithkline Beecham Corporation (US) 2008-09-03 EP disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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-20080167356-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 TAAR1 992/4885AKR1B1 498/4885SMN1; SMN2 4771/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 TAAR1 992/4885AKR1B1 498/4885SMN1; SMN2 4771/4885

“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.