SCHEMBL21093399

SCHEMBL21093399

CC(=O)[C@@H]1C[C@@H]1c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
NAMPT P43490 11/20 0.52
CYP3A4 P08684 6/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2D6 P10635 1/20 0.51
GPR88 Q9GZN0 1/20 0.44

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
SCHEMBL22414112 1.00 CYP2A6 (0.54) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL27389563 1.00 CYP2A6 (0.54) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL30455599 1.00 CYP2A6 (0.54) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL16019160 0.85 CYP2A6 (0.56) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL1207728 0.85 CYP2A6 (0.56) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL15689373 0.85 CYP2A6 (0.56) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL29527412 0.85 CYP2A6 (0.56) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL15698999 0.85 CYP2A6 (0.56) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL15689662 0.85 CYP2A6 (0.56) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL14708963 0.85 CYP2A6 (0.56) CYP2A6NAMPTCYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034725-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2021-06-15 US disclosed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2020-09-10 US disclosed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 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 (4 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-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 CYP2A6 2648/4885NAMPT 538/4885CYP3A4 3635/4885
US-11034725-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 CYP2A6 2648/4885NAMPT 538/4885CYP3A4 3635/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 CYP2A6 2648/4885NAMPT 538/4885CYP3A4 3635/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 CYP2A6 2648/4885NAMPT 538/4885CYP3A4 3635/4885

“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.