SCHEMBL9962295

SCHEMBL9962295

CC1CCN(C2CCCN(C)C2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
PIK3CD O00329 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD11B1 P28845 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR6 P50406 1/20 0.32
KAT2B Q92831 1/20 0.31

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
SCHEMBL4399691 0.89 PIK3CD (0.37) HTR2BPIK3CDCHRM2CHRM4CHRM5
SCHEMBL9962297 0.79 HTR2B (0.37) HTR2BTMEM97ATML3MBTL1KAT2B
SCHEMBL15200260 0.77 PIK3CD (0.44) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL10210762 0.74 JAK2 (0.41) HTR2BTMEM97CHRM1ATML3MBTL1
SCHEMBL21946382 0.74 JAK2 (0.41) HTR2BTMEM97CHRM1ATML3MBTL1
SCHEMBL10210786 0.74 JAK2 (0.41) HTR2BTMEM97CHRM1ATML3MBTL1
SCHEMBL10210914 0.72 HTR2B (0.40) HTR2BTMEM97ATML3MBTL1MAPK1
SCHEMBL13722579 0.72 NOS1 (0.36) MAPK1
SCHEMBL22813249 0.71 SMN1; SMN2 (0.36) MAPK1
SCHEMBL20986885 0.71 FPR2 (0.57)

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 7 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-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-12-29 US disclosed
US-9249146-B2 Bruton'S tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-02-02 US disclosed
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-10-16 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 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 (4 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-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK HTR2B 4081/4885TMEM97 3018/4885PIK3CD 45/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK HTR2B 4081/4885TMEM97 3018/4885PIK3CD 45/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK HTR2B 4081/4885TMEM97 3018/4885PIK3CD 45/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK HTR2B 4081/4885TMEM97 3018/4885PIK3CD 45/4885

“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.