SCHEMBL3565131

SCHEMBL3565131

C[C@@H]1CN(c2ccc(C#N)c(Br)c2)[C@@H](C)CN1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
AR P10275 14/20 0.36
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNA4 P43681 4/20 0.33

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
SCHEMBL6860728 1.00 PIM1 (0.37) PIM1ARCHRNB2CHRNB4CHRNA3
SCHEMBL6860724 1.00 PIM1 (0.37) PIM1ARCHRNB2CHRNB4CHRNA3
SCHEMBL3568982 0.88 AR (0.38) PIM1ARCHRNB2CHRNB4CHRNA3
SCHEMBL4597253 0.88 AR (0.38) PIM1ARCHRNB2CHRNB4CHRNA3
SCHEMBL4597254 0.88 AR (0.38) PIM1ARCHRNB2CHRNB4CHRNA3
SCHEMBL13269795 0.85 AR (0.36) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6859327 0.85 AR (0.36) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3570406 0.85 AR (0.36) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6859331 0.85 AR (0.36) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23134696 0.84 AR (0.52) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US claimed
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 US disclosed
US-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1557411-A1 N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-07-27 EP 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-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative BPHL, QDPR, SRD5A2 PIM1 2623/4885AR 5/4885CHRNB2 4190/4885
US-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 PIM1 1620/4885AR 2/4885CHRNB2 3336/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 PIM1 2772/4885AR 2/4885CHRNB2 4372/4885

“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.