SCHEMBL6408693

SCHEMBL6408693

CC(C)(C)c1cccc(N2CCNC2=N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
NOTUM Q6P988 1/20 0.36
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LPAR5 Q9H1C0 1/20 0.33
HPGD P15428 1/20 0.33
ESRRA P11474 1/20 0.33
ALOX5 P09917 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 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
SCHEMBL8996705 0.76 ALOX5 (0.45) ALDH1A1HTR1DHTR2CMAPTKDM4E
SCHEMBL16786524 0.75 NOTUM (0.42) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL24709283 0.75 SIGMAR1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17916111 0.74 SLC6A4 (0.45) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL6408597 0.74 HRH4 (0.32) ALDH1A1HTR1DHPGD
Bromide SCHEMBL31141400 0.73 SIGMAR1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6408632 0.71 ALDH1A1 (0.40) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7162434 0.71 KDM4E (0.39) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL270532 0.71 HTR3E (0.71) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL18367701 0.70 ALDH1A1 (0.45) ALDH1A1MAPTNOTUMKDM4EHPGD

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 4 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
EP-1362038-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-19 EP disclosed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 US disclosed
WO-2002064570-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 WO 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 ALDH1A1 270/4885HTR3E 1751/4885HTR3B 1832/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R ALDH1A1 651/4885HTR3E 1478/4885HTR3B 1426/4885

“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.