SCHEMBL5287093

SCHEMBL5287093

CCCCCCNc1ccccc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.76
GBA1 P04062 1/20 0.53
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
BCHE P06276 4/20 0.46
ACHE P22303 4/20 0.46
TP53 P04637 1/20 0.46
CHRM4 P08173 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM5 P08912 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
TSHR P16473 1/20 0.46
CHRM3 P20309 1/20 0.46
THPO P40225 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL6933746 1.00 CHRM2 (0.76) CHRM2GBA1HTR1AADRA1DADRA1A
SCHEMBL10490579 1.00 CHRM2 (0.76) CHRM2GBA1HTR1AADRA1DADRA1A
SCHEMBL11634725 1.00 CHRM2 (0.76) CHRM2GBA1HTR1AADRA1DADRA1A
SCHEMBL11496106 0.98 CHRM2 (0.73) CHRM2GBA1HTR1AADRA1DADRA1A
SCHEMBL6173269 0.93 CHRM2 (0.70) CHRM2GBA1HTR1AADRA1DADRA1A
SCHEMBL23467818 0.88 CHRM2 (0.97) CHRM2GRIN1GRIN2ABCHEACHE
SCHEMBL22652639 0.88 CHRM2 (0.97) CHRM2GRIN1GRIN2ABCHEACHE
SCHEMBL16139561 0.88 CHRM2 (0.97) CHRM2GRIN1GRIN2ABCHEACHE
SCHEMBL1644001 0.85 CHRM2 (0.64) CHRM2GBA1HTR1AADRA1DADRA1A
SCHEMBL2397251 0.85 CHRM2 (0.56) CHRM2GBA1HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
CN-1854128-B Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY 2012-05-16 CN disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 CN disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
US-4076849-A AROMATIC SECONDARY AMINES CANADA PACKERS LIMITED (CA) 1978-02-28 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CHRM2 1380/4885GBA1 4174/4885HTR1A 3780/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 CHRM2 1281/4885GBA1 4162/4885HTR1A 4068/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CHRM2 1380/4885GBA1 4174/4885HTR1A 3780/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CHRM2 1380/4885GBA1 4174/4885HTR1A 3780/4885

“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.