SCHEMBL341963

SCHEMBL341963

COC(=O)[C@H]1CNC[C@@H](c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.48
GUSB P08236 1/20 0.47
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
LMNA P02545 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
F2 P00734 1/20 0.42
RECQL P46063 1/20 0.41
HTR1A P08908 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL341965 1.00 HTR2C (0.48) HTR2CGUSBCHRNB2CHRNA4CHRNB4
SCHEMBL341964 1.00 HTR2C (0.48) HTR2CGUSBCHRNB2CHRNA4CHRNB4
SCHEMBL27857301 0.86 HTR2C (0.46) HTR2CGUSBCHRNB2CHRNA4CHRNB4
SCHEMBL641276 0.85 HTR2C (0.43) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL640587 0.84 HTR2C (0.42) HTR2C
SCHEMBL1056674 0.83 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3HTR2A
SCHEMBL12720032 0.83 CHRNB2 (0.36) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10093459 0.83 HTR2C (0.46) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL27857302 0.82 HTR2C (0.49) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL27857300 0.81 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3POLB

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
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB HTR2C 665/4885GUSB 4742/4885CHRNB2 355/4885

“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.