SCHEMBL6405837

SCHEMBL6405837

Cc1c(C(C)C)cccc1N1CCNC1=N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTR6 P50406 2/20 0.32
FAAH O00519 2/20 0.31
P2RX7 Q99572 1/20 0.31
MGLL Q99685 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL28073160 0.81 TAAR1 (0.36) TAAR1FAAHP2RX7CA1CA2
SCHEMBL6408655 0.77 GABRA1 (0.34) GABRA1GABRB1
SCHEMBL6408654 0.77 GABRA1 (0.34) GABRA1GABRB1
SCHEMBL6412050 0.74
SCHEMBL6406781 0.74
SCHEMBL6407183 0.74
SCHEMBL6409676 0.74
SCHEMBL6411573 0.72
SCHEMBL6407745 0.70 GABRA1 (0.35) GABRA1GABRB1
SCHEMBL10800951 0.69 KEAP1 (0.44) ADRB1LMNACYP3A4ALDH1A1MAPT

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-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US claimed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 US claimed
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 ADRB1 9/4885TAAR1 415/4885HTR6 1295/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R ADRB1 39/4885TAAR1 368/4885HTR6 1559/4885

“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.