SCHEMBL3596789

SCHEMBL3596789

CC(C)(C)NCCCC[O]

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
POLB P06746 1/20 0.37
TP53BP1 Q12888 4/20 0.35
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7834390 0.85 HRH4 (0.43) HRH4HRH3POLBTP53BP1RAB9A
SCHEMBL13884273 0.82 HRH4 (0.45) HRH4HRH3POLBTP53BP1RAB9A
SCHEMBL13884243 0.82 HRH4 (0.45) HRH4HRH3POLBTP53BP1RAB9A
SCHEMBL13884287 0.82 HRH4 (0.45) HRH4HRH3POLBTP53BP1RAB9A
SCHEMBL13884271 0.82 HRH4 (0.45) HRH4HRH3POLBTP53BP1RAB9A
SCHEMBL14176497 0.82 HRH4 (0.45) HRH4HRH3POLBTP53BP1RAB9A
SCHEMBL18351665 0.82 HRH4 (0.42) HRH4HRH3POLBTP53BP1RAB9A
SCHEMBL1276622 0.82 HRH4 (0.45) HRH4HRH3POLBTP53BP1RAB9A
SCHEMBL14176530 0.82 HRH4 (0.45) HRH4HRH3POLBTP53BP1RAB9A
SCHEMBL2477499 0.82 HRH4 (0.45) HRH4HRH3POLBTP53BP1RAB9A

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
US-8450352-B2 Thiazole compounds and their use for inhibiting phosphodiesterase 4, TNF-α, and IL-4 OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-28 US disclosed
US-20100094002-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. 2010-04-15 US disclosed
US-7655680-B2 (E)-3-[2-(3,4-diethoxyphenyl)thiazole-4-yl]-1-(2-methoxyphenyl)propenone; inhibiting the activity of phosphodiesterase 4, the production of tumor necrosis factor alpha, and the production of interleukin 4; atopic dermatitis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
US-20080039511-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
EP-1748044-A1 THIAZOLE COMPOUND AND USE THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2007-01-31 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B HRH4 367/4885HRH3 606/4885POLB 3471/4885
US-20100094002-A1 Thiazole Compound and Use Thereof PDE3B, IL4, PDE4A HRH4 998/4885HRH3 3272/4885POLB 2357/4885
US-20080039511-A1 Thiazole Compound and Use Thereof PDE3B, PDE3A, PDE4A HRH4 847/4885HRH3 2561/4885POLB 1893/4885

“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.