SCHEMBL9962292

SCHEMBL9962292

CCNCC1CCCN(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 3/20 0.36
CHRM2 P08172 2/20 0.36
ADRA2A P08913 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ABCB11 O95342 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
PTGS1 P23219 1/20 0.36
ADRA1D P25100 1/20 0.36

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
SCHEMBL12674143 0.88 NCF1 (0.41) SAT1DRD3CHRM3CYP2D6MAOB
SCHEMBL12778310 0.88 NCF1 (0.41) SAT1DRD3CHRM3CYP2D6MAOB
SCHEMBL9036781 0.84 ADH1B (0.41) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL27323800 0.81 CCR2 (0.38) SAT1KCNH2CYP2D6CCR2BCHE
SCHEMBL19781756 0.81
SCHEMBL4874323 0.79 SMN1; SMN2 (0.37) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL19575592 0.79 CHRM2 (0.38) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL2885366 0.79 CHRM2 (0.38) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1
SCHEMBL24535944 0.78 KCNH2 (0.38) SAT1KCNH2DRD3CYP2D6DPP4
SCHEMBL24510986 0.77 ADH1B (0.57) SMN1; SMN2KCNH2CHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020016315-A1 FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-23 WO disclosed
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 SAT1 4545/4885SMN1; SMN2 4292/4885KCNH2 3336/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK SAT1 4545/4885SMN1; SMN2 4292/4885KCNH2 3336/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK SAT1 4545/4885SMN1; SMN2 4292/4885KCNH2 3336/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK SAT1 4545/4885SMN1; SMN2 4292/4885KCNH2 3336/4885

“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.