SCHEMBL2106032

SCHEMBL2106032

CCCCCCC1CCCC[N]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.43
NOS2 P35228 5/20 0.43
EPHX1 P07099 1/20 0.39
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
NOS3 P29474 3/20 0.34
NAAA Q02083 3/20 0.33
SCN2A Q99250 2/20 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
SCHEMBL7636658 1.00 NOS1 (0.43) NOS1NOS2EPHX1CYP1A2ALDH1A1
SCHEMBL1168660 0.98 NOS1 (0.44) NOS1NOS2EPHX1CYP1A2ALDH1A1
SCHEMBL10707537 0.94 EPHX1 (0.41) NOS1NOS2EPHX1CYP1A2ALDH1A1
SCHEMBL7634559 0.94 EPHX1 (0.41) NOS1NOS2EPHX1CYP1A2ALDH1A1
SCHEMBL1691768 0.92 NOS1 (0.42) NOS1NOS2EPHX1CYP1A2ALDH1A1
SCHEMBL295542 0.92 NOS1 (0.50) NOS1NOS2CYP1A2NOS3
SCHEMBL7300362 0.91 SPHK2 (0.39) NOS1NOS2EPHX1CYP1A2ALDH1A1
SCHEMBL5214635 0.90 CYP1A2 (0.50) NOS1NOS2CYP1A2ALDH1A1NOS3
SCHEMBL7294415 0.85 SPHK2 (0.40) NOS1NOS2EPHX1ALDH1A1
SCHEMBL6510677 0.85

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 42 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
WO-1993025205-A1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF ANEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-23 WO disclosed
US-5179103-A Diuretics, hypotensive agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1993-01-12 US disclosed
EP-0497258-A2 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
US-5102878-A Treating psychological, bone, cardiovascular, blood disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5102869-A Urogenital disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5087629-A Diuretics, hypotensive agents; cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-11 US disclosed
US-4994453-A Treating asthma, diabetes, obesity, immunosuppression FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
US-4925849-A DIURETICS, HYPOTENSIVE AGENTS, CARIOTONIC AGENTS AND ANTIEDEMIC AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US disclosed
EP-0299209-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-18 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-20160166563-A1 Anti-Allergy Benzocycloheptathiophene Derivatives NR1H4, TST, CYP7A1 NOS1 1809/4885NOS2 2362/4885EPHX1 681/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX NOS1 2971/4885NOS2 2691/4885EPHX1 228/4885
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES TST, HRH1, ABCB11 NOS1 2387/4885NOS2 2713/4885EPHX1 651/4885
US-10022362-B2 Anti-allergy benzocycloheptathiophene derivatives NR1H4, TST, CYP7A1 NOS1 1809/4885NOS2 2362/4885EPHX1 681/4885

“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.