SCHEMBL3323907

SCHEMBL3323907

CN(CCCN)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
ABCB11 O95342 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADH1A P07327 3/20 0.35
ADH1C P00326 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
CHRM2 P08172 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL24654499 0.96 CHRM2 (0.37) HRH4HRH3SIGMAR1ABCB11ADORA3
SCHEMBL26969191 0.94 CHRM2 (0.43) HRH4HRH3SIGMAR1ABCB11ADORA3
SCHEMBL10937659 0.92 CHRM2 (0.43) HRH4HRH3SIGMAR1ABCB11ADORA3
SCHEMBL6967400 0.89
SCHEMBL3186493 0.86 HRH3 (0.42) HRH4HRH3SIGMAR1ABCB11ADORA3
Hydrochloric Acid SCHEMBL27567168 0.84 HRH4 (0.41) HRH4HRH3SIGMAR1ABCB11ADORA3
Hydrochloric Acid SCHEMBL6897821 0.84 HRH4 (0.41) HRH4HRH3SIGMAR1ABCB11ADORA3
SCHEMBL24951938 0.84 HRH4 (0.39) HRH4HRH3SIGMAR1ABCB11ADORA3
SCHEMBL20095943 0.83 HRH3 (0.40) HRH4HRH3SIGMAR1ABCB11ADORA3
SCHEMBL6961851 0.82 CHRM2 (0.48) SIGMAR1ADH1AADH1CKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080817-B1 A PROCESS FOR REMOVING ACID GASES USING A BASIC SALT ACTIVATED WITH A NON-STERICALLY HINDERED DIAMINO COMPOUND EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-07-10 EP claimed
US-4376101-A Process for removing acid gases using a basic salt activated with a non-sterically hindered diamine EXXON RESEARCH AND ENGINEERING CO. (US) 1983-03-08 US claimed
CN-118459351-A Synthesis method of multifunctional N- (aminopropyl) amine compound 榆林中科洁净能源创新研究院 2024-08-09 CN disclosed
CN-116874742-A Curable epoxy resin composition and preparation method and application thereof 万华化学集团股份有限公司 2023-10-13 CN disclosed
US-9957263-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-05-01 US disclosed
US-20160272630-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-09-22 US disclosed
EP-3013827-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 EP disclosed
EP-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed
WO-2014206345-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-12-31 WO disclosed
US-8288432-B2 Tetrahydroindole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2012-10-16 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-4525589-A Isoquinolinesulfonyl derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-25 US disclosed
EP-0061673-B1 ISOQUINOLINESULFONYL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-24 EP disclosed
US-4456757-A MUSCLE RELAXANTS, VASODILATORS, HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
EP-0080817-A1 A process for removing acid gases using a basic salt activated with a non-sterically hindered diamino compound EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-06-08 EP disclosed
US-4376101-A Process for removing acid gases using a basic salt activated with a non-sterically hindered diamine EXXON RESEARCH AND ENGINEERING CO. (US) 1983-03-08 US disclosed
EP-0061673-A1 Isoquinolinesulfonyl derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-10-06 EP disclosed
US-4104276-A BASIC COPPER PHTHALOCYANINES, CRYSTALLIZATION BASF AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4069064-A Phthalocyanine formulations having high gloss, which are stabilized against recrystallization and against change of modification BASF AKTIENGESELLSCHAFT (DT) 1978-01-17 US disclosed
US-4039346-A Conversion of crude copper phthalocyanines into pigments BASF AKTIENGESELLSCHAFT (DT) 1977-08-02 US 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 (1 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-20160272630-A1 Bromodomain Inhibitors BRD4, BRDT, EP300 HRH4 2270/4885HRH3 1490/4885SIGMAR1 3409/4885

“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.