SCHEMBL4661013

SCHEMBL4661013

CC(C)N(CCC1CCCC1(C(=O)O)c1ccccc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.44
SLC6A3 Q01959 4/20 0.39
MCHR1 Q99705 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
SLC6A4 P31645 5/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.36
HTR2C P28335 1/20 0.36

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
Hydrochloric Acid SCHEMBL4021178 0.99 SLC6A2 (0.43) SLC6A2SLC6A3MCHR1SIGMAR1SLC6A4
SCHEMBL8112597 0.96 SLC6A2 (0.43) SLC6A2SLC6A3MCHR1SIGMAR1SLC6A4
SCHEMBL27499030 0.86 SLC22A1 (0.47) SLC6A2SLC6A4
SCHEMBL6210054 0.82 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4LMNAHTT
SCHEMBL6660824 0.78 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4LMNAHTT
SCHEMBL7629979 0.77 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL8105071 0.76 SLC6A2 (0.42) SLC6A2SLC6A3SIGMAR1SLC6A4CYP2D6
SCHEMBL7164271 0.75 CHRM2 (0.54) SLC6A2SLC6A3SIGMAR1LMNAHTT
SCHEMBL28838197 0.74 AKR1C1 (0.45) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
Hydrochloric Acid SCHEMBL4106135 0.74 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441706-A2 ANTIMUSCARINIC AEROSOL Pharmacia & Upjohn Company (US) 2004-08-04 EP claimed
US-20030144352-A1 Antimuscarinic aerosol PHARMACIA & UPJOHN COMPANY 2003-07-31 US claimed
EP-1330241-A2 USE OF TOLTERODINE TO TREAT ASTHMA PHARMACIA & UPJOHN COMPANY (US) 2003-07-30 EP claimed
WO-2003039464-A2 ANTIMUSCARINIC AEROSOL PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO claimed
US-6538035-B2 And treatment of Chronic Obstructive Pulmonary Disease and allergic rhinitis PHARMACIA & UPJOHN COMPANY 2003-03-25 US claimed
US-20020161054-A1 Use of tolterodine to treat asthma PHARMACIA & UPJOHN COMPANY 2002-10-31 US claimed
WO-2002034245-A2 USE OF TOLTERODINE TO TREAT ASTHMA PHARMACIA & UPJOHN COMPANY (US) 2002-05-02 WO claimed
EP-1461306-B1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS PHARMACIA & UPJOHN CO LLC (US) 2008-12-24 EP disclosed
US-7439397-B2 reacting methyl bromide and 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-(trifluoromethyl) phenol; formation of (3R)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-N,N-diisopropyl-N-methyl-3-phenylpropan-1-aminium bromide; asthma, chronic obstructive pulmonary disorder, allergic and infectious rhinitis PFIZER INC (US) 2008-10-21 US disclosed
US-7291648-B2 3,3-diphenylpropylamines useful in therapy PFIZER INC. (US) 2007-11-06 US disclosed
US-20060281812-A1 NOVEL 3,3-diphenylpropylamines USEFUL IN THERAPY PHARMACIA & UPJOHN COMPANY LLC 2006-12-14 US disclosed
US-7119121-B2 3,3-diphenylpropylamines useful in therapy PFIZER INC. (US) 2006-10-10 US disclosed
US-7005449-B2 Tolterodine salts PHARMACIA & UPJOHN COMPANY (US) 2006-02-28 US disclosed
US-6538035-B2 And treatment of Chronic Obstructive Pulmonary Disease and allergic rhinitis PHARMACIA & UPJOHN COMPANY 2003-03-25 US disclosed
US-6538035-B2 And treatment of Chronic Obstructive Pulmonary Disease and allergic rhinitis PHARMACIA & UPJOHN COMPANY 2003-03-25 US disclosed
US-20020161054-A1 Use of tolterodine to treat asthma PHARMACIA & UPJOHN COMPANY 2002-10-31 US disclosed
US-20020161054-A1 Use of tolterodine to treat asthma PHARMACIA & UPJOHN COMPANY 2002-10-31 US disclosed
WO-2002034245-A2 USE OF TOLTERODINE TO TREAT ASTHMA PHARMACIA & UPJOHN COMPANY (US) 2002-05-02 WO disclosed
WO-2002034245-A2 USE OF TOLTERODINE TO TREAT ASTHMA PHARMACIA & UPJOHN COMPANY (US) 2002-05-02 WO disclosed
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 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 (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-20030144352-A1 Antimuscarinic aerosol CHRM3, CHRM1, CHRM5 SLC6A2 151/4885SLC6A3 243/4885MCHR1 596/4885
US-20060281812-A1 NOVEL 3,3-diphenylpropylamines USEFUL IN THERAPY QDPR, HRH3, SLC7A1 SLC6A2 51/4885SLC6A3 4/4885MCHR1 1577/4885
US-20020161054-A1 Use of tolterodine to treat asthma THOP1, ADRB2, HRH2 SLC6A2 754/4885SLC6A3 553/4885MCHR1 392/4885

“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.