SCHEMBL2107230

SCHEMBL2107230

C1CCC(N2CCCCC2)CC1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.54
PHGDH O43175 1/20 0.48
MGLL Q99685 1/20 0.48
L3MBTL3 Q96JM7 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SLC18A3 Q16572 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL87921 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL22216666 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL60131 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL1828721 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL728754 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL24782761 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL21422636 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL21057384 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL21057351 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL11147768 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1

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 26 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-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 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

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 HTR6 4178/4885PHGDH 2381/4885MGLL 1240/4885
US-20160166563-A1 Anti-Allergy Benzocycloheptathiophene Derivatives NR1H4, TST, CYP7A1 HTR6 1560/4885PHGDH 1017/4885MGLL 2718/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX HTR6 4178/4885PHGDH 2381/4885MGLL 1240/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX HTR6 4178/4885PHGDH 2381/4885MGLL 1240/4885
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES TST, HRH1, ABCB11 HTR6 1952/4885PHGDH 911/4885MGLL 2558/4885
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, YBX1, HAX1 HTR6 3148/4885PHGDH 3443/4885MGLL 1342/4885
US-10022362-B2 Anti-allergy benzocycloheptathiophene derivatives NR1H4, TST, CYP7A1 HTR6 1560/4885PHGDH 1017/4885MGLL 2718/4885

“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.