SCHEMBL8274281

SCHEMBL8274281

CC(C)c1cccc(NC2CCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.53
SYK P43405 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
NUDT1 P36639 1/20 0.40
KMT2A Q03164 3/20 0.39
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
HTT P42858 2/20 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
SCHEMBL17148513 0.84 IDH1 (0.49) CTSKSYKKCNH2CCNT1CDK9
SCHEMBL21566709 0.82 CCNT1 (0.47) CTSKSYKKCNH2KDM4ECCNT1
SCHEMBL13915436 0.77 ALDH1A1 (0.60) CTSKKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL29632728 0.76 CTSK (0.59) CTSKSYKKDM4ELMNASMN1; SMN2
SCHEMBL19120930 0.76 HSD11B1 (0.38) SYKKCNH2SMN1; SMN2
SCHEMBL22481122 0.75 ADRB1 (0.54) CTSKKCNH2KDM4ELMNASMN1; SMN2
SCHEMBL22481295 0.75 ADRB1 (0.54) CTSKKCNH2KDM4ELMNASMN1; SMN2
SCHEMBL17658884 0.74 HSD11B1 (0.41) SYKKCNH2LMNASMN1; SMN2ALDH1A1
SCHEMBL16334530 0.74 CTSK (0.57) CTSKSYKKDM4ELMNASMN1; SMN2
SCHEMBL29632510 0.72 CTSK (0.59) CTSKSYKKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076088-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-19 US disclosed
US-20090069383-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-12 US disclosed
US-7488742-B2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-7488742-B2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 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 (3 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-20090076088-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R CTSK 729/4885SYK 1009/4885KCNH2 3389/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 CTSK 823/4885SYK 1358/4885KCNH2 3257/4885
US-20090069383-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R CTSK 729/4885SYK 1009/4885KCNH2 3389/4885

“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.