SCHEMBL6436039

SCHEMBL6436039

C=CCN(c1ccccc1)N1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SIGMAR1 Q99720 5/20 0.33
HTR3A P46098 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
ESR1 P03372 1/20 0.32
S1PR1 P21453 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4936112 0.91 SIGMAR1 (0.39) SLC6A2SIGMAR1HTR3AHTR3EHTR3B
SCHEMBL28884912 0.72 SIGMAR1 (0.42) SLC6A2SIGMAR1HTR3AHTR3EHTR3B
SCHEMBL10438671 0.70 SIGMAR1 (0.44) SLC6A2SIGMAR1HTR3AHTR3EHTR3B
SCHEMBL11224700 0.68 SLC6A2 (0.44) SLC6A2ESR1S1PR1
SCHEMBL6430957 0.67 SLC6A2 (0.38) SLC6A2ESR1S1PR1MEN1KMT2A
Benzene SCHEMBL27985319 0.64 ESR1 (0.44) ESR1S1PR1MEN1KMT2A
SCHEMBL39946 0.64 ESR1 (0.44) ESR1S1PR1MEN1KMT2A
SCHEMBL9818045 0.64 ESR1 (0.44) ESR1S1PR1MEN1KMT2A
SCHEMBL7416028 0.64 TACR1 (0.44) SIGMAR1
SCHEMBL3867501 0.63

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 289/4885SIGMAR1 4425/4885HTR3A 1766/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R SLC6A2 331/4885SIGMAR1 4422/4885HTR3A 1468/4885

“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.