SCHEMBL3604069

SCHEMBL3604069

CCc1nn(C2CCCC2)c2cc(C(C)=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.43
TEAD4 Q15561 1/20 0.43
TEAD2 Q15562 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
SLC22A12 Q96S37 2/20 0.41
PDE7A Q13946 2/20 0.41
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.39
HCAR3 P49019 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
SSTR5 P35346 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
SCHEMBL3604745 0.99 TEAD1 (0.42) TEAD1TEAD4TEAD2RXFP1SLC22A12
SCHEMBL3176719 0.90 TEAD1 (0.53) TEAD1TEAD4TEAD2SLC22A12PDE7A
SCHEMBL7970490 0.89 TEAD1 (0.52) TEAD1TEAD4TEAD2SLC22A12PDE7A
SCHEMBL7377745 0.89 SLC22A12 (0.42) TEAD1TEAD4TEAD2SLC22A12PDE7A
SCHEMBL27701271 0.89 TEAD1 (0.42) TEAD1TEAD4TEAD2SLC22A12ESR1
SCHEMBL7379307 0.88 TEAD1 (0.53) TEAD1TEAD4TEAD2SLC22A12PDE7A
SCHEMBL3605146 0.87 MERTK (0.46) TEAD1TEAD4TEAD2RXFP1SLC22A12
SCHEMBL7971299 0.86 MERTK (0.48) TEAD1TEAD4TEAD2RXFP1SLC22A12
SCHEMBL7288655 0.86 SLC22A12 (0.43) TEAD1TEAD4TEAD2SLC22A12ESR1
SCHEMBL7296279 0.85 TEAD1 (0.39) TEAD1TEAD4TEAD2SLC22A12ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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 (5 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 TEAD1 1999/4885TEAD4 889/4885TEAD2 875/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 TEAD1 4234/4885TEAD4 4554/4885TEAD2 4429/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 TEAD1 1999/4885TEAD4 889/4885TEAD2 875/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TEAD1 4234/4885TEAD4 4554/4885TEAD2 4429/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TEAD1 4234/4885TEAD4 4554/4885TEAD2 4429/4885

“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.