SCHEMBL2116652

SCHEMBL2116652

ON=CCc1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
ADRA2A P08913 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 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
SCHEMBL2116651 1.00 AKR1B1 (0.42) AKR1B1SMN1; SMN2TAAR1ADRA2AKMT2A
SCHEMBL12466481 0.87 GAA (0.51) SMN1; SMN2TAAR1KMT2AMEN1MAPT
SCHEMBL2113265 0.79 TAAR1 (0.47) AKR1B1SMN1; SMN2TAAR1ADRA2AKMT2A
SCHEMBL2113264 0.79 TAAR1 (0.47) AKR1B1SMN1; SMN2TAAR1ADRA2AKMT2A
SCHEMBL2115066 0.79 TAAR1 (0.47) AKR1B1SMN1; SMN2TAAR1ADRA2AKMT2A
SCHEMBL9900768 0.76 CA2 (0.36) SMN1; SMN2KMT2AMEN1LMNACYP3A4
SCHEMBL6624263 0.74 HTT (0.41) AKR1B1SMN1; SMN2TAAR1ADRA2AKMT2A
SCHEMBL6624262 0.74 HTT (0.41) AKR1B1SMN1; SMN2TAAR1ADRA2AKMT2A
SCHEMBL21537996 0.72 BACE1 (0.40) AKR1B1SMN1; SMN2TAAR1ADRA2AKMT2A
SCHEMBL27363588 0.72 TAAR1 (0.56) SMN1; SMN2TAAR1KMT2AMAPTGAA

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
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
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 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 (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 AKR1B1 498/4885SMN1; SMN2 4771/4885TAAR1 992/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 AKR1B1 498/4885SMN1; SMN2 4771/4885TAAR1 992/4885

“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.