SCHEMBL21865601

SCHEMBL21865601

COC(=O)[C@](O)(NCc1ccc(C(F)(F)F)cc1)C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNH2 Q12809 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TEAD1 P28347 1/20 0.41
LSS P48449 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DPP4 P27487 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
MAPK14 Q16539 1/20 0.39
DNMT1 P26358 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
FFAR1 O14842 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL21865729 0.79 LSS (0.45) CYP3A4LSSALDH1A1MAPK14FFAR1
SCHEMBL16839906 0.75 LSS (0.44) CYP3A4MAPTMAPK1LSSALDH1A1
SCHEMBL21789147 0.73 CYP3A4 (0.43) P2RX7CYP3A4MAPTMAPK1KCNH2
SCHEMBL21789150 0.72 ITGB3 (0.45) P2RX7CYP3A4MAPTMAPK1KCNH2
SCHEMBL4481286 0.72 CCR2 (0.47) P2RX7CYP3A4MAPTMAPK1TEAD1
SCHEMBL4495364 0.72 CCR2 (0.47) P2RX7CYP3A4MAPTMAPK1TEAD1
SCHEMBL21865730 0.72 ITGB3 (0.45) P2RX7CYP3A4MAPTMAPK1KCNH2
SCHEMBL21865439 0.72 CCR1 (0.39) CYP3A4MAPTMAPK1KCNH2LSS
SCHEMBL26154086 0.71 ALDH1A1 (0.65) P2RX7MAPTKCNH2HRH3ALDH1A1
SCHEMBL28910696 0.69 MAPT (0.42) MAPTKCNH2KDM4EALDH1A1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414424-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2022-08-16 US disclosed
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2020-04-09 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 (2 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-11414424-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 P2RX7 4400/4885CYP3A4 4430/4885MAPT 2089/4885
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 P2RX7 4400/4885CYP3A4 4430/4885MAPT 2089/4885

“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.