SCHEMBL524490

SCHEMBL524490

COC(=O)CC[C@@H]1[C@H]2CNC[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
EPHX2 P34913 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL522561 1.00 TSHR (0.44) TSHRCHRNB2CHRNA4EPHX2SMN1; SMN2
SCHEMBL522560 1.00 TSHR (0.44) TSHRCHRNB2CHRNA4EPHX2SMN1; SMN2
SCHEMBL30415951 0.80 CHRNB2 (0.38) TSHRCHRNB2CHRNA4EPHX2CHRNB4
SCHEMBL19051296 0.80 CHRNB2 (0.38) TSHRCHRNB2CHRNA4EPHX2CHRNB4
SCHEMBL19051294 0.80 CHRNB2 (0.38) TSHRCHRNB2CHRNA4EPHX2CHRNB4
SCHEMBL25222062 0.80 CHRNB2 (0.38) TSHRCHRNB2CHRNA4EPHX2CHRNB4
SCHEMBL6747313 0.79 CHRNB2 (0.40) TSHRCHRNB2CHRNA4EPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL19895506 0.78 CHRNB2 (0.37) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL31735305 0.78 TSHR (0.46) TSHRCHRNB2CHRNA4EPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL19895504 0.78 CHRNB2 (0.37) TSHRCHRNB2CHRNA4CHRNB4CHRNA3

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
EP-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 EP disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 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 (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-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 TSHR 1000/4885CHRNB2 1262/4885CHRNA4 418/4885

“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.