SCHEMBL1003010

SCHEMBL1003010

CC(N)OC(=O)C(N)CCCCN

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
CPB2 Q96IY4 3/20 0.41
DPP7 Q9UHL4 8/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
RNPEP Q9H4A4 1/20 0.38
DPP4 P27487 2/20 0.38
TLR2 O60603 2/20 0.36
FAP Q12884 1/20 0.35

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
Hydrochloric Acid SCHEMBL6704964 0.98 GSR (0.52) GSRGNAI3GNAO1GNAI1CPB2
Hydrochloric Acid SCHEMBL21802388 0.98 GSR (0.52) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL1603054 0.89 GSR (0.53) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL6437091 0.89 GSR (0.53) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL22494143 0.87 GSR (0.52) GSRGNAI3GNAO1GNAI1CPB2
Hydrochloric Acid SCHEMBL28125330 0.87 GSR (0.52) GSRGNAI3GNAO1GNAI1CPB2
Hydrochloric Acid SCHEMBL28125331 0.87 GSR (0.52) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL23457451 0.84 GSR (0.57) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL4204273 0.84 GSR (0.57) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL15459533 0.84 GSR (0.48) GSRGNAI3GNAO1GNAI1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751073-B2 PROCESS FOR PREPARING ISOCYANATES BASF SE (DE) 2022-12-14 EP claimed
EP-3950668-A1 METHOD FOR MAKING ISOCYANATES BASF SE (DE) 2022-02-09 EP claimed
EP-2751073-B1 PROCESS FOR PREPARING ISOCYANATES BASF SE (DE) 2016-11-16 EP claimed
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
EP-2751073-B2 PROCESS FOR PREPARING ISOCYANATES BASF SE (DE) 2022-12-14 EP disclosed
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 US disclosed
EP-3950668-A1 METHOD FOR MAKING ISOCYANATES BASF SE (DE) 2022-02-09 EP disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 US disclosed
EP-3763809-A1 METHOD FOR NEUTRALIZATION OF ANTIBIOTICS IN A CULTURE MEDIUM bioMérieux, Inc. (US) 2021-01-13 EP disclosed
US-5504125-A INCREASING SOLUBILITY OF BLOWING AGENT IN POLYOL SOLUTION BASF CORPORATION (US) 1996-04-02 US disclosed
US-5488071-A RIGID CLOSED CELL FOAMS OF POLYETHERURETHANES BASF CORPORATION (US) 1996-01-30 US disclosed
US-5484817-A TO EMULSIFY THE HYDROCARBON BLOWING AGENT AND TO LOWER THE DENSITY OF THE CLOSED-CELL FOAM BASF CORPORATION (US) 1996-01-16 US disclosed
US-5470501-A Processability of hydrocarbon blown, polyisocyanate based foams through use of a compatibilizing agent BASF CORPORATION (US) 1995-11-28 US disclosed
US-5464562-A Polyisocyanurate closed-cell foam BASF CORPORATION (US) 1995-11-07 US disclosed
EP-0424836-B1 Preparation process of aliphatic isocyanates MITSUI TOATSU CHEMICALS (JP) 1995-03-15 EP disclosed
EP-0618170-A1 Process for producing reagent grade hydrochloric acid from the manufacture of organic isocyanates BASF CORPORATION (US) 1994-10-05 EP disclosed
US-5136086-A Reacting diamine with gaseous hydrogen chloride and phosgene in ester solvent MITSUI TOATSU CHEMICALS, INC. (JP) 1992-08-04 US disclosed
EP-0424836-A1 Preparation process of aliphatic isocyanates MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-05-02 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 (3 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-11352319-B2 Method for producing carbamate and method for producing isocyanate CPS1, CA7, CA4 GSR 1999/4885GNAI3 3423/4885GNAO1 1520/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 GSR 1999/4885GNAI3 3423/4885GNAO1 1520/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 GSR 2815/4885GNAI3 4421/4885GNAO1 2301/4885

“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.