SCHEMBL1093645

SCHEMBL1093645

COc1ccccc1C[Mg]Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CHRM2 P08172 4/20 0.52
CHRM1 P11229 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
AOC3 Q16853 1/20 0.47
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 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
SCHEMBL31737743 1.00 IDO1 (0.53) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL15311922 0.84 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL4025730 0.82 TAAR1 (0.58) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL31737574 0.81 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL5249922 0.81 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL809192 0.81 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL2903190 0.79 L3MBTL1 (0.56) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL11154600 0.79 TAAR1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL2904522 0.78 SLC6A2 (0.44) ALDH1A1KDM4E
SCHEMBL5249846 0.78 SLC6A2 (0.41) ALDH1A1MAPTACHELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-8153830-B2 Production method of asymmetric copper complex crystal SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
EP-2223916-A1 Morpholine derivatives as norepinephrine reuptake inhibitors Eli Lilly and Company (US) 2010-09-01 EP disclosed
EP-1682523-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2010-08-18 EP disclosed
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2010-05-06 US disclosed
US-7709670-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-05-04 US disclosed
US-20100094036-A1 PRODUCTION METHOD OF ASYMMETRIC COPPER COMPLEX CRYSTAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-1866322-B1 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2010-02-24 EP disclosed
EP-2078710-A1 METHOD FOR PRODUCING ASYMMETRIC COPPER COMPLEX CRYSTAL Sumitomo Chemical Company, Limited (JP) 2009-07-15 EP disclosed
EP-1534694-A1 ARYL AND HETEROARYL MORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2005-06-01 EP disclosed
WO-2005047272-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-05-26 WO disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005021095-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
US-6861566-B2 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-01 US disclosed
WO-2004103356-A2 TREATMENT OF EMOTIONAL DYSREGULATION ELI LILLY AND COMPANY (US) 2004-12-02 WO disclosed
US-20040097763-A1 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-05-20 US disclosed
WO-2004018441-A1 ARYL AND HETEROARYL MORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-03-04 WO disclosed
EP-1369405-A1 PROCESS FOR PRODUCING 1-CHLORO-4-ARYLBUTANE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-10 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 (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-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization OSBP, OSBPL3, OSBP2 IDO1 2919/4885TAAR1 2917/4885CHRM2 3538/4885
US-20100094036-A1 PRODUCTION METHOD OF ASYMMETRIC COPPER COMPLEX CRYSTAL ADH1A, ADH1C, ALDH3A1 IDO1 1096/4885TAAR1 512/4885CHRM2 3725/4885
US-20040097763-A1 Process for producing 1-chloro-4-arylbutane CYP1B1, CBR1, CYP1A1 IDO1 114/4885TAAR1 77/4885CHRM2 1742/4885

“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.