SCHEMBL781780

SCHEMBL781780

CCCN(CCC)C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
CA2 P00918 3/20 0.48
RAB9A P51151 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
CA1 P00915 3/20 0.40
TP53 P04637 2/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
JAK2 O60674 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL1880376 0.90 CA12 (0.44) ALDH1A1HPGDCA12CA9CA2
SCHEMBL5908194 0.85 CA12 (0.52) ALDH1A1HPGDCA12CA9CA2
SCHEMBL31457896 0.84 CA12 (0.40) ALDH1A1HPGDCA12CA9CA2
SCHEMBL14275114 0.84 ALDH1A1 (0.42) ALDH1A1HPGDCA12CA9CA2
SCHEMBL8470255 0.83 NPC1 (0.50) ALDH1A1CA12CA9CA2RAB9A
SCHEMBL24746387 0.82 ALDH1A1 (0.39) ALDH1A1HPGDCA12CA9CA2
SCHEMBL9864401 0.81 NPC1 (0.53) ALDH1A1CA12CA9CA2RAB9A
SCHEMBL28684383 0.81 NPC1 (0.53) ALDH1A1CA12CA9CA2RAB9A
SCHEMBL10181457 0.81 NPC1 (0.53) ALDH1A1CA12CA9CA2RAB9A
SCHEMBL28693146 0.81 NPC1 (0.53) ALDH1A1CA12CA9CA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874601-A 3, 3-Dimethyl-1, 2,3, 4-tetrahydro-9H-carbazole derivative and preparation method and application thereof 山东大学 2025-04-25 CN claimed
CN-114058173-A Process and composition for producing flexible polyurethane foams 赢创运营有限公司 2022-02-18 CN claimed
US-4326076-A Method for preparing the optically active isomer of 2,2-[[5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalene-diyl]bis(oxy)]bis[N,N-dipropylacetamide] E. R. SQUIBB & SONS, INC. (US) 1982-04-20 US claimed
CN-119874601-A 3, 3-Dimethyl-1, 2,3, 4-tetrahydro-9H-carbazole derivative and preparation method and application thereof 山东大学 2025-04-25 CN disclosed
CN-114058173-A Process and composition for producing flexible polyurethane foams 赢创运营有限公司 2022-02-18 CN disclosed
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
EP-2828261-B1 Crystalline form of a succinate salt NOVARTIS AG (CH) 2016-02-03 EP disclosed
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US disclosed
US-9050339-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2616447-B1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-02-18 EP disclosed
EP-0328251-A2 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-16 EP disclosed
EP-0221494-A1 Process for the preparation of amides of glycolic acid BAYER AG (DE) 1987-05-13 EP disclosed
EP-0028940-B1 ANTIARRHYTHMIC TETRAHYDRONAPHTHALENE DERIVATIVES E.R. Squibb & Sons, Inc. (US) 1983-09-07 EP disclosed
US-4350812-A Antiarrhythmic tetrahydronaphthalene derivatives E. R. SQUIBB & SONS, INC. (US) 1982-09-21 US disclosed
US-4302453-A Antiarrhythmic tetrahydronaphthalene derivatives E. R. SQUIBB & SONS, INC. (US) 1981-11-24 US disclosed
US-4279902-A Anti-arrhythmia agents E. R. SQUIBB & SONS, INC. (US) 1981-07-21 US disclosed
EP-0028940-A1 Antiarrhythmic tetrahydronaphthalene derivatives E.R. Squibb & Sons, Inc. (US) 1981-05-20 EP disclosed
US-4252801-A ANTIARRHYTHMIA AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-02-24 US disclosed
US-4099954-A Amide phosphorothiolate herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-07-11 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 (2 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-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885HPGD 2231/4885CA12 4017/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885HPGD 2231/4885CA12 4017/4885

“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.