SCHEMBL6430957

SCHEMBL6430957

C=CCN(c1ccccc1)N1C=NCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
ESR1 P03372 1/20 0.32
PTAFR P25105 1/20 0.32
S1PR1 P21453 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11884863 0.70 SIGMAR1 (0.35)
SCHEMBL4936112 0.69 SIGMAR1 (0.39) SLC6A2ESR1S1PR1MEN1KMT2A
SCHEMBL11224700 0.68 SLC6A2 (0.44) SLC6A2ESR1S1PR1MAPTPOLB
SCHEMBL7488302 0.68
SCHEMBL6436039 0.67 SLC6A2 (0.35) SLC6A2ESR1S1PR1L3MBTL1MEN1
SCHEMBL11342832 0.66 SLC6A2 (0.46) SLC6A2ESR1S1PR1MAPTL3MBTL1
SCHEMBL11342825 0.65 SLC6A2 (0.48) SLC6A2MAPTL3MBTL1POLB
SCHEMBL39946 0.64 ESR1 (0.44) ESR1S1PR1MAPTKDM4EMEN1
SCHEMBL9818045 0.64 ESR1 (0.44) ESR1S1PR1MAPTKDM4EMEN1
SCHEMBL11032897 0.62 CHKA (0.46) ESR1S1PR1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US disclosed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 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 (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-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, ADRB2, REN SLC6A2 289/4885ESR1 2699/4885PTAFR 1012/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R SLC6A2 331/4885ESR1 1172/4885PTAFR 951/4885

“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.