SCHEMBL19937825

SCHEMBL19937825

CC(C)(C)c1ccccc1N1CCC[C@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
CNR2 P34972 2/20 0.44
RBP4 P02753 4/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK1 P06493 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
PDK2 Q15119 2/20 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
SCHEMBL3436617 0.80 ADRB1 (0.45) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL31058296 0.79 AR (0.43) FFAR1CNR2CCNE2CDK4CCND1
SCHEMBL21778414 0.78 ITGB2 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3435705 0.77 NR1I2 (0.44) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL10208772 0.77 ADRB1 (0.46) CNR2CCNE2CDK4CCND1CCNE1
SCHEMBL28526319 0.76 PDK2 (0.48) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL27676113 0.76 HTR1A (0.49) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL16715906 0.74 CDK1 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2936136 0.73 NR1I2 (0.42) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3169375 0.73 CCNE2 (0.42) FFAR1CCNE2CDK4CCND1CCNE1

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-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 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-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK FFAR1 4602/4885CNR2 4165/4885RBP4 4859/4885

“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.