SCHEMBL872028

SCHEMBL872028

CC(C)(C)N(C(=O)O)[C@H]1CC[C@@H](NC(=O)c2cc(F)cnc2Nc2cccc(C(=O)NC3CN4CCC3CC4)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.39
HTR3A P46098 2/20 0.39
SCN9A Q15858 1/20 0.39
NTRK1 P04629 2/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
JAK2 O60674 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
SCHEMBL872029 1.00 CHRNA7 (0.39) CHRNA7HTR3ASCN9ANTRK1NTRK3
SCHEMBL872030 1.00 CHRNA7 (0.39) CHRNA7HTR3ASCN9ANTRK1NTRK3
SCHEMBL3026227 0.88 CHRNA7 (0.44) CHRNA7HTR3ASCN9ANTRK1HTR3E
SCHEMBL3026238 0.88 CHRNA7 (0.44) CHRNA7HTR3ASCN9ANTRK1HTR3E
SCHEMBL3026234 0.88 CHRNA7 (0.44) CHRNA7HTR3ASCN9ANTRK1HTR3E
SCHEMBL8177429 0.86 SCN9A (0.42) CHRNA7HTR3ASCN9ANTRK1NTRK3
SCHEMBL871754 0.83 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL871041 0.82 EGFR (0.39) JAK2
SCHEMBL871040 0.82 EGFR (0.39) JAK2
SCHEMBL870949 0.76 EGFR (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B CHRNA7 289/4885HTR3A 1091/4885SCN9A 2097/4885

“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.