SCHEMBL1496992

SCHEMBL1496992

Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.56
HRH1 P35367 5/20 0.56
HTR2A P28223 4/20 0.56
CHRM2 P08172 3/20 0.56
CHRM1 P11229 3/20 0.56
CHRM5 P08912 2/20 0.56
LMNA P02545 1/20 0.56
ESR1 P03372 1/20 0.56
CHRM4 P08173 1/20 0.56
MAPT P10636 1/20 0.56
KCNE1 P15382 1/20 0.56
PTGS1 P23219 1/20 0.56
HRH2 P25021 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRK1 P41145 1/20 0.56
KCNQ1 P51787 1/20 0.56
KCNH2 Q12809 1/20 0.56
CACNA1C Q13936 1/20 0.56
SCN5A Q14524 1/20 0.56

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
SCHEMBL12986232 0.88 CHRM3 (0.54) CHRM3HRH1HTR2ACHRM2CHRM1
SCHEMBL19212507 0.87 CHRM3 (0.51) CHRM3HRH1HTR2ACHRM2CHRM1
SCHEMBL724557 0.82 CHRM3 (0.63) CHRM3HRH1HTR2ACHRM2CHRM1
SCHEMBL724558 0.82 CHRM3 (0.63) CHRM3HRH1HTR2ACHRM2CHRM1
SCHEMBL14988049 0.81 CHRM3 (0.58) CHRM3HRH1HTR2ACHRM2CHRM1
SCHEMBL12986836 0.79 CHRM3 (0.52) CHRM3HRH1HTR2ACHRM2CHRM1
SCHEMBL6757073 0.76 CHRM3 (0.55) CHRM3HRH1HTR2ACHRM2CHRM1
SCHEMBL1809355 0.76 CHRM3 (0.55) CHRM3HRH1HTR2ACHRM2CHRM1
SCHEMBL1809358 0.76 CHRM3 (0.55) CHRM3HRH1HTR2ACHRM2CHRM1
SCHEMBL5614313 0.76 CHRM3 (0.65) CHRM3HRH1HTR2ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759420-B2 Inhalable particles CRYSTEC LTD (GB) 2023-09-19 US disclosed
US-20220331243-A1 INHALABLE PARTICLES CRYSTEC LTD (GB) 2022-10-20 US disclosed
US-11351115-B2 Inhalable particles CRYSTEC LTD (GB) 2022-06-07 US disclosed
US-20200230053-A1 Inhalable Particles CRYSTEC LTD (GB) 2020-07-23 US disclosed
EP-3104848-B1 INHALABLE PARTICLE FORMULATIONS COMPRISING AN ANTIMUSCARINIC AGENT CRYSTEC LTD (GB) 2020-05-06 EP disclosed
CN-106163505-B Improvements relating to inhalable particles 科瑞思特有限公司 2020-04-24 CN disclosed
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN disclosed
WO-2017137955-A1 NOVEL (R) AND RAC 3-(2-(ALLYLOXY)-5-METHYLPHENYL)-N,N-DIISOPROPYL-3- PHENYLPROPAN-1-AMINE AND ITS USE FOR SYNTHESIS OF (R) AND RAC-2-(3- (DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4-(HYDROXYMETHYL)PHENOL CELESTIS PHARMACEUTICALS PVT. LTD. (IN) 2017-08-17 WO disclosed
US-20170065589-A1 METHODS OF TREATING OR PREVENTING PRETERM LABOR VISCO ANTHONY G (US) 2017-03-09 US disclosed
US-20170056325-A1 Improvements Relating To Inhalable Particles CRYSTEC LTD (GB) 2017-03-02 US disclosed
EP-3104848-A1 IMPROVEMENTS RELATING TO INHALABLE PARTICLES Crystec Ltd. (GB) 2016-12-21 EP disclosed
WO-2015121664-A1 IMPROVEMENTS RELATING TO INHALABLE PARTICLES CRYSTEC LTD (GB) 2015-08-20 WO disclosed
US-20120220655-A1 CRYSTALLINE FORMS OF FESOTERODINE FUMARATE AND FESOTERODINE BASE TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2012-08-30 US disclosed
EP-2459520-A1 CRYSTALLINE FORMS OF FESOTERODINE FUMARATE AND FESOTERODINE BASE Teva Gyógyszergyár Zártköruen Muködo Részvénytársaság (HU) 2012-06-06 EP disclosed
WO-2011029005-A1 CRYSTALLINE FORMS OF FESOTERODINE FUMARATE AND FESOTERODINE BASE TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2011-03-10 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-20170065589-A1 METHODS OF TREATING OR PREVENTING PRETERM LABOR ADRB3, CHRNB3, CHRNA3 CHRM3 4/4885HRH1 2226/4885HTR2A 688/4885
US-20120220655-A1 CRYSTALLINE FORMS OF FESOTERODINE FUMARATE AND FESOTERODINE BASE FES, FSHR, SHBG CHRM3 69/4885HRH1 1244/4885HTR2A 1731/4885

“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.