SCHEMBL5358574

SCHEMBL5358574

CC(N)Oc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL130062 0.83 KMT2A (0.34)
SCHEMBL3140126 0.79
SCHEMBL2138904 0.79
SCHEMBL3043431 0.79 LMNA (0.31)
SCHEMBL7482415 0.79
SCHEMBL2458784 0.79
SCHEMBL483028 0.79 KDM4E (0.30)
SCHEMBL4793873 0.79
SCHEMBL4891090 0.76
SCHEMBL158042 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 US disclosed
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-01 US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6737417-B2 AN ANTIESTROGENIC AGENT CONTAININING AROMATIC OR HETEROAROMATIC COMPOUNDS CONTAINING HYDROXYCARBONYL OR METAL SALT- HALOGENOALKYL SIDE CHAIN; USEFUL FOR TREATING BREAST CANCER CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-18 US disclosed
EP-1361205-A1 Compounds with hydroxycarbonyl-halogenalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-12 EP disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
US-6610733-B2 Antiestrogen, therapeutic agent for breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-26 US disclosed
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-10 US disclosed
US-20030125571-A1 Optically active chroman and thiochroman derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-03 US disclosed
EP-1241167-A1 3-ETHYL-, 3-PROPYL- OR 3-BUTYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
EP-1241158-A1 COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
EP-1241165-A1 OPTICALLY ACTIVE CHROMAN AND THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
WO-2001042237-A1 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-06-14 WO disclosed
WO-2001042236-A1 METAL SALTS OF 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-06-14 WO disclosed
US-6153768-A RECEPTOR BLOCKING ANTIESTROGENS HAVING REDUCED SIDE EFFECTS C & C RESEARCH LABORATORIES (KR) 2000-11-28 US disclosed
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO disclosed
EP-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
EP-0386920-A2 2-Hydroxy-3-thienyloxypropylamino derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-12 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 (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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 SLC6A2 4264/4885TAAR1 2630/4885MAOA 4221/4885
US-20030125571-A1 Optically active chroman and thiochroman derivatives NR5A1, CYP19A1, SHBG SLC6A2 4502/4885TAAR1 2814/4885MAOA 2016/4885
US-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CYP19A1, HSD17B11, SHBG SLC6A2 4433/4885TAAR1 4001/4885MAOA 3450/4885
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains HSD17B11, CYP19A1, SHBG SLC6A2 4545/4885TAAR1 4600/4885MAOA 3644/4885

“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.