SCHEMBL1662475

SCHEMBL1662475

CCOC(=O)C1=CCN=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
TSHR P16473 1/20 0.41
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
CA14 Q9ULX7 4/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 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
SCHEMBL4915482 0.70 CYP1A2 (0.42) CYP1A2TSHRCA12CA1CA2
SCHEMBL10132606 0.69 CYP1A2 (0.44) CYP1A2TSHRMEN1KMT2AKDM4E
SCHEMBL13743229 0.69 CYP1A2 (0.41) CYP1A2TSHRCA12CA1CA2
SCHEMBL692384 0.68 CYP1A2 (0.43) CYP1A2TSHRCA12CA1CA2
SCHEMBL678155 0.68 CYP1A2 (0.40) CYP1A2TSHRCA12CA1CA2
SCHEMBL10583397 0.67 CYP1A2 (0.42) CYP1A2TSHRCA12CA1CA2
SCHEMBL29709832 0.66 LMNA (0.38) CYP1A2TSHRCA12CA1CA2
SCHEMBL19204714 0.66 CYP1A2 (0.38) CYP1A2TSHRCA12CA1CA2
SCHEMBL31196992 0.66 TSHR (0.48) CYP1A2TSHRCA12CA1CA2
SCHEMBL43932 0.66

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-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 CYP1A2 1690/4885TSHR 349/4885CA12 4594/4885

“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.