SCHEMBL5315445

SCHEMBL5315445

[CH2]CCc1cccc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.67
CHRM2 P08172 3/20 0.62
CHRM1 P11229 3/20 0.62
CHRM3 P20309 3/20 0.62
IDO1 P14902 2/20 0.61
AGXT P21549 2/20 0.61
SIGMAR1 Q99720 1/20 0.59
AOC3 Q16853 1/20 0.59
HRH3 Q9Y5N1 1/20 0.56
ABCB1 P08183 1/20 0.55
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
MAOB P27338 1/20 0.53
CMA1 P23946 1/20 0.51

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
SCHEMBL3689085 0.89 CHRM2 (0.63) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL30080050 0.87 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL723511 0.87 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL863899 0.85 CHRM2 (0.59) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL4142939 0.85 CHRM2 (0.59) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL29986862 0.83 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL21002016 0.83 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL21002162 0.83 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL96112 0.83 TAAR1 (0.60) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL21002124 0.82 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
CN-1192021-C 3-azabicyclo [3.1.0] hexane derivatives as opioid receptor ligands PFIZER LTD (US) 2005-03-09 CN claimed
CN-1331679-A 3-azabicyclo [3.1.0] hexane derivatives as opiate receptors ligands PFIZER LTD (US) 2002-01-16 CN claimed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9872493-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-23 US disclosed
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-29 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-08 US disclosed
EP-2926660-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-10-07 EP disclosed
CN-1039415-A New 1, the preparation method of 3-3-disubstituted piperidine derivatives PFIZER (GB) 1990-02-07 CN disclosed
CN-1033995-A 4 (5)-imidazoles that suppress aromatase enzyme FARMOS OY (FI) 1989-07-19 CN disclosed
EP-0105243-B1 SEPARATION OF RACEMIC 1-PROPYL-3-ARYL PIPERIDINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-08-03 EP disclosed
EP-0105243-A2 Separation of racemic 1-propyl-3-aryl piperidines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-04-11 EP disclosed
US-4195178-A Methylenecyclopentane derivatives THE UPJOHN COMPANY (US) 1980-03-25 US disclosed
US-4181798-A Methylenecyclopentane derivatives THE UPJOHN COMPANY (US) 1980-01-01 US disclosed
US-4175202-A 4,5,6-Trinor-3,7,-inter-m-phenylene prostaglandin A1 analogs THE UPJOHN COMPANY (US) 1979-11-20 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4084058-A HYPOTENSIVES, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1978-04-11 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 (4 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-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH FGF2, BROX, BOLA2; BOLA2B TAAR1 833/4885CHRM2 4198/4885CHRM1 4445/4885
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, BROX, FGF2 TAAR1 305/4885CHRM2 2825/4885CHRM1 2104/4885
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH BOLA2; BOLA2B, BROX, TET1 TAAR1 1423/4885CHRM2 3115/4885CHRM1 3336/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 TAAR1 2317/4885CHRM2 3391/4885CHRM1 2538/4885

“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.