SCHEMBL3568982

SCHEMBL3568982

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 4/20 0.34
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNA4 P43681 4/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
PIM1 P11309 1/20 0.34
DPP4 P27487 1/20 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
SCHEMBL4597253 1.00 AR (0.38) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL4597254 1.00 AR (0.38) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL6859327 0.89 AR (0.36) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3570406 0.89 AR (0.36) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13269795 0.89 AR (0.36) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6859331 0.89 AR (0.36) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23134696 0.88 AR (0.52) AR
SCHEMBL3565131 0.88 PIM1 (0.37) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6860724 0.88 PIM1 (0.37) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4595905 0.88 PARP1 (0.39) 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 10 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
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 EP 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
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 US disclosed
EP-1122242-A1 CYANOPHENYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-08-08 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 AR 5/4885ALDH1A1 172/4885LMNA 3845/4885
US-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 AR 2/4885ALDH1A1 1496/4885LMNA 1602/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 AR 2/4885ALDH1A1 296/4885LMNA 3557/4885

“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.