SCHEMBL2106033

SCHEMBL2106033

CCCCCCN1[CH]CCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX5 P09917 2/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL27499418 1.00 LTA4H (0.38) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL1168662 0.98 LTA4H (0.35) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL6506570 0.96 L3MBTL1 (0.36) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL9167013 0.94 GNAI3 (0.38) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL294888 0.94 GNAI3 (0.38) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL2099498 0.92 CYP1A2 (0.34) LTA4HCYP1A2CYP2D6L3MBTL1
SCHEMBL1081166 0.92 ALDH1A1 (0.36) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL6506199 0.90 L3MBTL1 (0.33) LTA4HCYP1A2CYP2D6HRH3L3MBTL1
SCHEMBL4914244 0.85
SCHEMBL607241 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD. (CN) 2014-05-15 US claimed
EP-2727919-A1 BENZOCYCLOHEPTANETHIOPHENE DERIVATIVES FOR ANTI-ALLERGIC REACTIONS Fujian Mindong Rejuvenation Pharmaceutical Co., Ltd. (CN) 2014-05-07 EP claimed
EP-2727919-B1 BENZOCYCLOHEPTANETHIOPHENE DERIVATIVES FOR ANTI-ALLERGIC REACTIONS FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO LTD (CN) 2019-05-08 EP disclosed
US-10022362-B2 Anti-allergy benzocycloheptathiophene derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD (CN) 2018-07-17 US disclosed
US-20160166563-A1 Anti-Allergy Benzocycloheptathiophene Derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD (CN) 2016-06-16 US disclosed
US-9296731-B2 Anti-allergy benzocycloheptathiophene derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD. (CN) 2016-03-29 US disclosed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 US disclosed
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD. (CN) 2014-05-15 US disclosed
EP-2727919-A1 BENZOCYCLOHEPTANETHIOPHENE DERIVATIVES FOR ANTI-ALLERGIC REACTIONS Fujian Mindong Rejuvenation Pharmaceutical Co., Ltd. (CN) 2014-05-07 EP disclosed
US-8674118-B2 Compounds and methods for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-18 US disclosed
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-04-18 US disclosed
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 US disclosed
EP-1879879-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Virochem Pharma Inc. (CA) 2008-01-23 EP disclosed
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-12-07 US disclosed
WO-2006119646-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2006-11-16 WO disclosed
EP-1569929-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF i FLAVIVIRUS /i INFECTIONS Virochem Pharma Inc. (CA) 2005-09-07 EP disclosed
US-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2005-01-13 US disclosed
WO-2004052885-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2004-06-24 WO disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN 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 (7 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-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX LTA4H 3222/4885GNAI3 2496/4885GNAO1 2744/4885
US-20160166563-A1 Anti-Allergy Benzocycloheptathiophene Derivatives NR1H4, TST, CYP7A1 LTA4H 69/4885GNAI3 1438/4885GNAO1 626/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX LTA4H 3222/4885GNAI3 2496/4885GNAO1 2744/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX LTA4H 3222/4885GNAI3 2496/4885GNAO1 2744/4885
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES TST, HRH1, ABCB11 LTA4H 32/4885GNAI3 948/4885GNAO1 1882/4885
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, YBX1, HAX1 LTA4H 2498/4885GNAI3 1939/4885GNAO1 2108/4885
US-10022362-B2 Anti-allergy benzocycloheptathiophene derivatives NR1H4, TST, CYP7A1 LTA4H 69/4885GNAI3 1438/4885GNAO1 626/4885

“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.