SCHEMBL18284018

SCHEMBL18284018

O=C(O)N1CCC[C@@H](n2ccc3cc(Br)ccc3c2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ MBTD1 Q05BQ5 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL18283942 0.85 HDAC3 (0.35) GRM4
SCHEMBL30398712 0.84 FPR2 (0.49) CHRNA7ALDH1A1MAPTKMT2AMEN1
SCHEMBL18296156 0.84 FPR2 (0.49) CHRNA7ALDH1A1MAPTKMT2AMEN1
SCHEMBL18283641 0.84 KDM2B (0.37) L3MBTL1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL17185036 0.81 GRM4 (0.43) MAPTKMT2APOLBGRM4MEN1
SCHEMBL22747759 0.79 GRM4 (0.40) ALDH1A1MAPTKMT2AKDM4EPOLB
SCHEMBL25151044 0.73 FPR2 (0.46) MAPTKDM4ETP53
SCHEMBL30186793 0.73 FPR2 (0.46) MAPTKDM4ETP53
SCHEMBL26115586 0.71 CHRNA7 (0.36) CHRNA7L3MBTL1MBTD1L3MBTL3KDM4E
SCHEMBL26115589 0.71 CHRNA7 (0.36) CHRNA7L3MBTL1MBTD1L3MBTL3KDM4E

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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 — — US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 — — EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — 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 (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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK CHRNA7 4419/4885L3MBTL1 1168/4885MBTD1 964/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK CHRNA7 4419/4885L3MBTL1 1168/4885MBTD1 964/4885

“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.

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