SCHEMBL4739306

SCHEMBL4739306

C=CC(=O)N1CCCC(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
EPHX2 P34913 5/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LIPE Q05469 1/20 0.41
GRM3 Q14832 3/20 0.40
BTK Q06187 4/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL18599052 0.89 TEAD1 (0.44) JAK3JAK2JAK1BTK
SCHEMBL21776268 0.85 JAK3 (0.46) JAK3JAK2JAK1BTK
SCHEMBL19240547 0.85 JAK3 (0.45) JAK3JAK2JAK1BTK
SCHEMBL22474759 0.85 JAK3 (0.44) JAK3JAK2JAK1BTK
SCHEMBL17915688 0.85 JAK3 (0.45) JAK3JAK2JAK1BTK
SCHEMBL18431347 0.85 JAK3 (0.45) JAK3JAK2JAK1BTK
SCHEMBL17150817 0.85 JAK3 (0.44) JAK3JAK2JAK1BTK
SCHEMBL24541727 0.82 JAK3 (0.45) JAK3JAK2JAK1POLBBTK
SCHEMBL21537267 0.82 JAK3 (0.45) JAK3JAK2JAK1POLBBTK
SCHEMBL20937415 0.82 JAK3 (0.45) JAK3JAK2JAK1POLBBTK

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-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2019-05-28 US disclosed
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2018-07-26 US disclosed
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2017-03-09 US disclosed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO 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-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN JAK3 89/4885JAK2 17/4885JAK1 40/4885
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN JAK3 89/4885JAK2 17/4885JAK1 40/4885
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors BTK, LCK, LYN JAK3 89/4885JAK2 17/4885JAK1 40/4885

“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.